(Q76511217)

English

3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole

chemical compound

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instance of

type of chemical entity

0 references

1 reference

735.3613484399999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₅₄H₄₅N₃

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canonical SMILES

CCn1c2ccccc2c2cc(/C=C/c3cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)cc(/C=C/c4ccc5c(c4)c4ccccc4n5CC)c3)ccc21

1 reference

based on heuristic

inferred from InChI

isomeric SMILES

CCN1C2=CC=CC=C2C3=C1C=CC(=C3)/C=C/C4=CC(=CC(=C4)/C=C/C5=CC6=C(N(C7=CC=CC=C67)CC)C=C5)/C=C/C8=CC9=C(N(C1=CC=CC=C91)CC)C=C8

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Identifiers

InChI

InChI=1S/C54H45N3/c1-4-55-49-16-10-7-13-43(49)46-34-37(25-28-52(46)55)19-22-40-31-41(23-20-38-26-29-53-47(35-38)44-14-8-11-17-50(44)56(53)5-2)33-42(32-40)24-21-39-27-30-54-48(36-39)45-15-9-12-18-51(45)57(54)6-3/h7-36H,4-6H2,1-3H3/b22-19+,23-20+,24-21+

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InChIKey

JWTJCIYHZFCEPU-IKVQWSBMSA-N

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CAS Registry Number

848311-04-6

1 reference

InChIKey

JWTJCIYHZFCEPU-IKVQWSBMSA-N

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=848311-04-6

PubChem CID

16218121

1 reference

matched by identifier from

InChIKey

JWTJCIYHZFCEPU-IKVQWSBMSA-N

SureChEMBL ID

SCHEMBL10013256

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JWTJCIYHZFCEPU-IKVQWSBMSA-N

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

matched by identifier from

InChIKey

JWTJCIYHZFCEPU-IKVQWSBMSA-N

DSSTOX compound identifier

DTXCID20535521

0 references

(Q76511217)

3-[(E)-2-[3,5-bis[(E)-2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]ethenyl]-9-ethylcarbazole

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