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

C38H23N7 — CID 134476167

IUPAC3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4cccc(C#N)c4)ccc3c3ccc(-c4cccc(C#N)c4)cc32)n1
InChIInChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)34-12-9-27(22-41)17-35(34)45-36-18-30(28-7-3-5-25(15-28)20-39)10-13-32(36)33-14-11-31(19-37(33)45)29-8-4-6-26(16-29)21-40/h3-19H,1-2H3
InChIKeyRRVOPLJEPDHXIZ-UHFFFAOYSA-N
MW577.65 g/mol
LogP8.20
Rot. Bonds4

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

3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 134476167) has the molecular formula C38H23N7 and a molecular weight of 577.65 g/mol. Its IUPAC name is 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID134476167
Molecular FormulaC38H23N7
Molecular Weight577.65 g/mol
Exact Mass577.20
IUPAC Name3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4cccc(C#N)c4)ccc3c3ccc(-c4cccc(C#N)c4)cc32)n1
InChIInChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)34-12-9-27(22-41)17-35(34)45-36-18-30(28-7-3-5-25(15-28)20-39)10-13-32(36)33-14-11-31(19-37(33)45)29-8-4-6-26(16-29)21-40/h3-19H,1-2H3
InChIKeyRRVOPLJEPDHXIZ-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

3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508047
3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476151
4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508087
3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508053
3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 140871952
3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155014684
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476186
3-[2-(3-cyanophenyl)-7-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3-[3-(3-cyanophenyl)-6-(3-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[2-(4-isocyanophenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-isocyanophenyl)carbazol-9-yl]benzonitrile
CID 161096795
3-[2,4-bis[2,7-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-methylphenyl]benzonitrile
CID 161450405
5-[9-[5-cyano-2-(4,6-dimethylpyrimidin-2-yl)phenyl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155014756
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
3-[2-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476168

Frequently Asked Questions

What is the IUPAC name of 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (CID 134476167) is 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4cccc(C#N)c4)ccc3c3ccc(-c4cccc(C#N)c4)cc32)n1.
What is the InChIKey of 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is RRVOPLJEPDHXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)34-12-9-27(22-41)17-35(34)45-36-18-30(28-7-3-5-25(15-28)20-39)10-13-32(36)33-14-11-31(19-37(33)45)29-8-4-6-26(16-29)21-40/h3-19H,1-2H3.
What are the key properties of 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(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 3-[2,7-bis(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 134476167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).