2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile

C38H23N3 — CID 155357395

IUPAC2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3ccccc3)c12
InChIInChI=1S/C38H23N3/c39-24-29-15-10-16-30(25-40)37(29)35-23-31(27-13-6-2-7-14-27)22-34-33-21-28(26-11-4-1-5-12-26)19-20-36(33)41(38(34)35)32-17-8-3-9-18-32/h1-23H
InChIKeyNGXZKKYXWGRACQ-UHFFFAOYSA-N
MW521.62 g/mol
LogP9.53
Rot. Bonds4

About 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile

2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile (PubChem CID 155357395) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
PubChem CID155357395
Molecular FormulaC38H23N3
Molecular Weight521.62 g/mol
Exact Mass521.19
IUPAC Name2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3ccccc3)c12
InChIInChI=1S/C38H23N3/c39-24-29-15-10-16-30(25-40)37(29)35-23-31(27-13-6-2-7-14-27)22-34-33-21-28(26-11-4-1-5-12-26)19-20-36(33)41(38(34)35)32-17-8-3-9-18-32/h1-23H
InChIKeyNGXZKKYXWGRACQ-UHFFFAOYSA-N
XLogP9.53
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
1,3-diphenyl-9-(4-phenylphenyl)-6-[4-(6,8,9-triphenylcarbazol-3-yl)phenyl]carbazole
CID 121449228
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile
CID 155131718
2-[3-[4-(N-[4-[9-phenyl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]phenyl]anilino)phenyl]phenyl]benzonitrile
CID 130352968
2-[8-(2,6-dicyanophenyl)-9-(4-phenylphenyl)carbazol-1-yl]benzene-1,3-dicarbonitrile
CID 155357809
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
9-(3,5-diphenylphenyl)-6-[9-(3,5-diphenylphenyl)-6,8-diphenylcarbazol-3-yl]-1,3-diphenylcarbazole
CID 126503570
2-[8-(2-cyanophenyl)-9-phenylcarbazol-3-yl]-3-isocyanobenzonitrile
CID 155645760
2-(7,9-diphenylcarbazol-3-yl)-3-isocyanobenzonitrile
CID 155645732

Frequently Asked Questions

What is the IUPAC name of 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile (CID 155357395) is 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1cc(-c2ccccc2)cc2c3cc(-c4ccccc4)ccc3n(-c3ccccc3)c12.
What is the InChIKey of 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile?
The InChIKey is NGXZKKYXWGRACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3/c39-24-29-15-10-16-30(25-40)37(29)35-23-31(27-13-6-2-7-14-27)22-34-33-21-28(26-11-4-1-5-12-26)19-20-36(33)41(38(34)35)32-17-8-3-9-18-32/h1-23H.
What are the key properties of 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile?
2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile has a molecular weight of 521.62 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).