9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile

C35H23N5 — CID 146652846

IUPAC9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile
SMILESCc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C35H23N5/c1-23-16-18-31-28(20-23)29-21-24(22-36)17-19-32(29)40(31)30-15-9-8-14-27(30)35-38-33(25-10-4-2-5-11-25)37-34(39-35)26-12-6-3-7-13-26/h2-21H,1H3
InChIKeyPWDFQJPVVJKOFC-UHFFFAOYSA-N
MW513.60 g/mol
LogP8.15
Rot. Bonds4

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile

9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile (PubChem CID 146652846) has the molecular formula C35H23N5 and a molecular weight of 513.60 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile
PubChem CID146652846
Molecular FormulaC35H23N5
Molecular Weight513.60 g/mol
Exact Mass513.20
IUPAC Name9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile
SMILESCc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C35H23N5/c1-23-16-18-31-28(20-23)29-21-24(22-36)17-19-32(29)40(31)30-15-9-8-14-27(30)35-38-33(25-10-4-2-5-11-25)37-34(39-35)26-12-6-3-7-13-26/h2-21H,1H3
InChIKeyPWDFQJPVVJKOFC-UHFFFAOYSA-N
XLogP8.15
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4,6-bis(3,6-dimethylcarbazol-9-yl)-1,3,5-triazin-2-yl]-4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 170444671
4-[4-[5-(3-cyanophenyl)-2-(3,6-dimethylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 170664945
3-[4-[5-cyano-2-[3-methyl-6-(trifluoromethyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 159701387
4-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-3-[2-[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-methylphenyl]benzonitrile
CID 157473750
4-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-3-[4-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-5-cyanophenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 138713572
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 137414835
9-[2,4-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 137414465
4-[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508097
3-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(4-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(4-methylphenyl)carbazol-9-yl]benzonitrile
CID 154603109
9-[4-(3,6-dimethylcarbazol-9-yl)-2,5-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-dimethylcarbazole
CID 146512114
9-[4-[4-[2,4-bis(3-cyanocarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3-(3-cyanocarbazol-9-yl)phenyl]carbazole-3-carbonitrile
CID 138570297
9-[2-(3-cyanophenyl)-4-[2-(3,6-dicyanocarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 139496004

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile?
The IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile (CID 146652846) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile.
What is the SMILES notation for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile?
The canonical SMILES for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile is Cc1ccc2c(c1)c1cc(C#N)ccc1n2-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile?
The InChIKey is PWDFQJPVVJKOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23N5/c1-23-16-18-31-28(20-23)29-21-24(22-36)17-19-32(29)40(31)30-15-9-8-14-27(30)35-38-33(25-10-4-2-5-11-25)37-34(39-35)26-12-6-3-7-13-26/h2-21H,1H3.
What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile?
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile has a molecular weight of 513.60 g/mol, XLogP of 8.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-methylcarbazole-3-carbonitrile is sourced from PubChem (CID 146652846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).