9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile

C40H20N6 — CID 155377727

IUPAC9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C40H20N6/c41-21-25-6-5-7-28(16-25)32-20-39(45-35-10-3-1-8-30(35)33-17-26(22-42)12-14-37(33)45)29(24-44)19-40(32)46-36-11-4-2-9-31(36)34-18-27(23-43)13-15-38(34)46/h1-20H
InChIKeyOXJHPZFEKWXRBX-UHFFFAOYSA-N
MW584.64 g/mol
LogP9.03
Rot. Bonds3

About 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile

9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile (PubChem CID 155377727) has the molecular formula C40H20N6 and a molecular weight of 584.64 g/mol. Its IUPAC name is 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
PubChem CID155377727
Molecular FormulaC40H20N6
Molecular Weight584.64 g/mol
Exact Mass584.17
IUPAC Name9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
SMILESN#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(C#N)ccc32)c1
InChIInChI=1S/C40H20N6/c41-21-25-6-5-7-28(16-25)32-20-39(45-35-10-3-1-8-30(35)33-17-26(22-42)12-14-37(33)45)29(24-44)19-40(32)46-36-11-4-2-9-31(36)34-18-27(23-43)13-15-38(34)46/h1-20H
InChIKeyOXJHPZFEKWXRBX-UHFFFAOYSA-N
XLogP9.03
TPSA105.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.64
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-[2-cyano-5-(3-cyanophenyl)-4-(3-isocyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 155646735
4-(3-cyanophenyl)-2,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]benzonitrile
CID 155377735
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-pyridin-3-ylphenyl]carbazole-3-carbonitrile
CID 137388859
2-carbazol-9-yl-5-[3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]benzene-1,4-dicarbonitrile
CID 155080653
2-(3-cyanophenyl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155377559
5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538845
2-(3-cyanophenyl)-4,5-bis[3-(2-cyanophenyl)carbazol-9-yl]benzonitrile
CID 155377782
4-(3-cyanophenyl)-2,5-bis[2-(trifluoromethyl)carbazol-9-yl]benzonitrile
CID 146237826
9-[2-cyano-4-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 155217704
9-[2-[3-(3-carbazol-9-yl-4-cyanophenyl)phenyl]phenyl]carbazole-3-carbonitrile
CID 155080542
9-[2-cyano-4-(2-cyano-7-isocyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]-7-isocyanocarbazole-2-carbonitrile
CID 155646678
4,5-bis[3,6-bis(3-cyanophenyl)carbazol-9-yl]-2-(3-cyanophenyl)benzonitrile
CID 155377784

Frequently Asked Questions

What is the IUPAC name of 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The IUPAC name of 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile (CID 155377727) is 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The canonical SMILES for 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile is N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C#N)ccc43)c(C#N)cc2-n2c3ccccc3c3cc(C#N)ccc32)c1.
What is the InChIKey of 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
The InChIKey is OXJHPZFEKWXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20N6/c41-21-25-6-5-7-28(16-25)32-20-39(45-35-10-3-1-8-30(35)33-17-26(22-42)12-14-37(33)45)29(24-44)19-40(32)46-36-11-4-2-9-31(36)34-18-27(23-43)13-15-38(34)46/h1-20H.
What are the key properties of 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile?
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile has a molecular weight of 584.64 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile is sourced from PubChem (CID 155377727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).