8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile

C38H22N4 — CID 139351890

IUPAC8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cc(-c4cccc5c6cc(C#N)ccc6n(-c6ccccc6)c45)ccc32)c1
InChIInChI=1S/C38H22N4/c39-23-25-8-6-11-29(20-25)41-35-15-5-4-12-31(35)34-22-27(17-19-36(34)41)30-13-7-14-32-33-21-26(24-40)16-18-37(33)42(38(30)32)28-9-2-1-3-10-28/h1-22H
InChIKeyDIFAXCZRKDOXBW-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile

8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 139351890) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
PubChem CID139351890
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1cccc(-n2c3ccccc3c3cc(-c4cccc5c6cc(C#N)ccc6n(-c6ccccc6)c45)ccc32)c1
InChIInChI=1S/C38H22N4/c39-23-25-8-6-11-29(20-25)41-35-15-5-4-12-31(35)34-22-27(17-19-36(34)41)30-13-7-14-32-33-21-26(24-40)16-18-37(33)42(38(30)32)28-9-2-1-3-10-28/h1-22H
InChIKeyDIFAXCZRKDOXBW-UHFFFAOYSA-N
XLogP9.29
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(9-phenylcarbazol-1-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 155369918
9-(3-cyanophenyl)-5-(9-phenylcarbazol-1-yl)carbazole-3-carbonitrile
CID 139351852
8-[9-(3-isocyanophenyl)carbazol-1-yl]-9-phenylcarbazole-3-carbonitrile
CID 140759896
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
9-[2-(4-carbazol-9-ylphenyl)-5,6-bis(3,6-dicyanocarbazol-9-yl)-4-(9-phenylcarbazol-1-yl)-3-pyridinyl]carbazole-3,6-dicarbonitrile
CID 150022138
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
6-carbazol-9-yl-9-phenylcarbazole-3-carbonitrile
CID 134597724
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-(9-methylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole
CID 126630373
4-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;3-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]benzonitrile;4-[3-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile;4-[4-[3-(9-triphenylen-2-ylcarbazol-3-yl)carbazol-9-yl]phenyl]benzonitrile
CID 157150513
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3,9-diphenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;1-phenyl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 160580937

Frequently Asked Questions

What is the IUPAC name of 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile (CID 139351890) is 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile is N#Cc1cccc(-n2c3ccccc3c3cc(-c4cccc5c6cc(C#N)ccc6n(-c6ccccc6)c45)ccc32)c1.
What is the InChIKey of 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile?
The InChIKey is DIFAXCZRKDOXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-8-6-11-29(20-25)41-35-15-5-4-12-31(35)34-22-27(17-19-36(34)41)30-13-7-14-32-33-21-26(24-40)16-18-37(33)42(38(30)32)28-9-2-1-3-10-28/h1-22H.
What are the key properties of 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile?
8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[9-(3-cyanophenyl)carbazol-3-yl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 139351890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).