2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile

C41H27N5 — CID 134476313

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)c1
InChIInChI=1S/C41H27N5/c1-27-11-10-16-30(23-27)31-19-22-38-36(25-31)35-17-8-9-18-37(35)46(38)33-20-21-34(32(24-33)26-42)41-44-39(28-12-4-2-5-13-28)43-40(45-41)29-14-6-3-7-15-29/h2-25H,1H3
InChIKeyMLOSTNAYFDHXIF-UHFFFAOYSA-N
MW589.70 g/mol
LogP9.82
Rot. Bonds5

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 134476313) has the molecular formula C41H27N5 and a molecular weight of 589.70 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
PubChem CID134476313
Molecular FormulaC41H27N5
Molecular Weight589.70 g/mol
Exact Mass589.23
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)c1
InChIInChI=1S/C41H27N5/c1-27-11-10-16-30(23-27)31-19-22-38-36(25-31)35-17-8-9-18-37(35)46(38)33-20-21-34(32(24-33)26-42)41-44-39(28-12-4-2-5-13-28)43-40(45-41)29-14-6-3-7-15-29/h2-25H,1H3
InChIKeyMLOSTNAYFDHXIF-UHFFFAOYSA-N
XLogP9.82
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.70
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 138579613
5-(3-carbazol-9-ylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476292
2-[3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]benzonitrile
CID 139495723
9-[3-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole-3-carbonitrile
CID 134508127
5-(3-tert-butylcarbazol-9-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476705
2-[2-cyano-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile;ethane
CID 145427145
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508120
5-(3-carbazol-9-ylcarbazol-9-yl)-2-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 126730512
5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138565576
9-[5-[3-[3-[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(3-methylphenyl)carbazole;9-[5-[3-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(4-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(3-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(3-methylphenyl)carbazole;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-[3-(4-methylphenyl)carbazol-9-yl]phenyl]phenyl]phenyl]-3-(4-methylphenyl)carbazole
CID 163967215
3-[2-[4-[2-(3-cyanophenyl)-5-(3-methylcarbazol-9-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-(3-methylcarbazol-9-yl)phenyl]benzonitrile
CID 154950457
4-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzene-1,2-dicarbonitrile
CID 146573167

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile (CID 134476313) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(C#N)c2)c1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is MLOSTNAYFDHXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27N5/c1-27-11-10-16-30(23-27)31-19-22-38-36(25-31)35-17-8-9-18-37(35)46(38)33-20-21-34(32(24-33)26-42)41-44-39(28-12-4-2-5-13-28)43-40(45-41)29-14-6-3-7-15-29/h2-25H,1H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 589.70 g/mol, XLogP of 9.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 134476313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).