5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

C38H23N7 — CID 134512991

IUPAC5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)n1
InChIInChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)33-16-13-30(17-29(33)22-41)45-36-18-25(31-9-5-3-7-27(31)20-39)11-14-34(36)35-15-12-26(19-37(35)45)32-10-6-4-8-28(32)21-40/h3-19H,1-2H3
InChIKeyKNXXAFJCPYWPQW-UHFFFAOYSA-N
MW577.65 g/mol
LogP8.20
Rot. Bonds4

About 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 134512991) has the molecular formula C38H23N7 and a molecular weight of 577.65 g/mol. Its IUPAC name is 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID134512991
Molecular FormulaC38H23N7
Molecular Weight577.65 g/mol
Exact Mass577.20
IUPAC Name5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)n1
InChIInChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)33-16-13-30(17-29(33)22-41)45-36-18-25(31-9-5-3-7-27(31)20-39)11-14-34(36)35-15-12-26(19-37(35)45)32-10-6-4-8-28(32)21-40/h3-19H,1-2H3
InChIKeyKNXXAFJCPYWPQW-UHFFFAOYSA-N
XLogP8.20
TPSA114.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.65
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508120
2-[9-[2,4-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzonitrile
CID 137420905
2-[4-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzonitrile
CID 126734753
2-[4-[4-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]phenyl]phenyl]-5-(3-carbazol-9-ylcarbazol-9-yl)benzonitrile
CID 126734719
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-methylcarbazol-9-yl)benzonitrile
CID 134476238
4,5-bis[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134302144
2-[2-cyano-4-(2,7-diphenylcarbazol-9-yl)phenyl]-5-(2,7-diphenylcarbazol-9-yl)benzonitrile
CID 138736179
2-[2,6-bis(2-cyanophenyl)pyrimidin-4-yl]-5-[4-(3-carbazol-9-ylcarbazol-9-yl)phenyl]benzonitrile
CID 126734798
4-[9-[5-cyano-3-[2-(2,4-dicyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134321342
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
5-[2,7-bis[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-2-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 162612450
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292

Frequently Asked Questions

What is the IUPAC name of 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (CID 134512991) is 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is Cc1nc(C)nc(-c2ccc(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc2C#N)n1.
What is the InChIKey of 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is KNXXAFJCPYWPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)33-16-13-30(17-29(33)22-41)45-36-18-25(31-9-5-3-7-27(31)20-39)11-14-34(36)35-15-12-26(19-37(35)45)32-10-6-4-8-28(32)21-40/h3-19H,1-2H3.
What are the key properties of 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 577.65 g/mol, XLogP of 8.20, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,7-bis(2-cyanophenyl)carbazol-9-yl]-2-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 134512991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).