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

C38H23N7 — CID 134476186

IUPAC4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)n1
InChIInChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)34-17-27(22-41)9-12-37(34)45-35-13-10-30(28-7-3-5-25(15-28)20-39)18-32(35)33-19-31(11-14-36(33)45)29-8-4-6-26(16-29)21-40/h3-19H,1-2H3
InChIKeySRNGGSYEDUDEOI-UHFFFAOYSA-N
MW577.65 g/mol
LogP8.20
Rot. Bonds4

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

4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 134476186) has the molecular formula C38H23N7 and a molecular weight of 577.65 g/mol. Its IUPAC name is 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID134476186
Molecular FormulaC38H23N7
Molecular Weight577.65 g/mol
Exact Mass577.20
IUPAC Name4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)n1
InChIInChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)34-17-27(22-41)9-12-37(34)45-35-13-10-30(28-7-3-5-25(15-28)20-39)18-32(35)33-19-31(11-14-36(33)45)29-8-4-6-26(16-29)21-40/h3-19H,1-2H3
InChIKeySRNGGSYEDUDEOI-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

4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138712675
4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508087
3-[3-[4-[5-(3-cyanophenyl)-2-(3,6-diphenylcarbazol-9-yl)phenyl]-6-[3-(4-cyanophenyl)phenyl]-1,3,5-triazin-2-yl]-4-(3,6-diphenylcarbazol-9-yl)phenyl]benzonitrile
CID 170134707
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
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(3-cyanophenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476167
3-[6-(3-cyanophenyl)-9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzonitrile
CID 137421440
5-[9-[4-cyano-2-[4-[5-cyano-2-[3-(3,5-dicyanophenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138712673
4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155003347
4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508097
3-[4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[5-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 153432152
3-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-3-[4-[3,6-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139495671

Frequently Asked Questions

What is the IUPAC name of 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (CID 134476186) is 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)n1.
What is the InChIKey of 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is SRNGGSYEDUDEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N7/c1-23-42-24(2)44-38(43-23)34-17-27(22-41)9-12-37(34)45-35-13-10-30(28-7-3-5-25(15-28)20-39)18-32(35)33-19-31(11-14-36(33)45)29-8-4-6-26(16-29)21-40/h3-19H,1-2H3.
What are the key properties of 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(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 4-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 134476186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).