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

C64H48N6 — CID 138729208

IUPAC2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1
InChIInChI=1S/C64H48N6/c1-38-29-40(3)60(41(4)30-38)46-25-27-56-52(33-46)49-21-13-15-23-54(49)69(56)58-35-48(37-65)51(64-67-62(44-17-9-7-10-18-44)66-63(68-64)45-19-11-8-12-20-45)36-59(58)70-55-24-16-14-22-50(55)53-34-47(26-28-57(53)70)61-42(5)31-39(2)32-43(61)6/h7-36H,1-6H3
InChIKeyZNJHLQKGPPHLKW-UHFFFAOYSA-N
MW901.13 g/mol
LogP16.12
Rot. Bonds7

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

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 138729208) has the molecular formula C64H48N6 and a molecular weight of 901.13 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID138729208
Molecular FormulaC64H48N6
Molecular Weight901.13 g/mol
Exact Mass900.39
IUPAC Name2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1
InChIInChI=1S/C64H48N6/c1-38-29-40(3)60(41(4)30-38)46-25-27-56-52(33-46)49-21-13-15-23-54(49)69(56)58-35-48(37-65)51(64-67-62(44-17-9-7-10-18-44)66-63(68-64)45-19-11-8-12-20-45)36-59(58)70-55-24-16-14-22-50(55)53-34-47(26-28-57(53)70)61-42(5)31-39(2)32-43(61)6/h7-36H,1-6H3
InChIKeyZNJHLQKGPPHLKW-UHFFFAOYSA-N
XLogP16.12
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.13
LogP ≤ 516.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138730538
2,5-bis[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138730540
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138729658
3-[4-[5-cyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138712816
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134320909
2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729264
4-[9-[5-cyano-2-[3-(2,4-dicyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 134321459
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 155217531
2-(4,6-diphenylpyrimidin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 155217558
5-[9-[2-[3,6-bis(3,5-dicyanophenyl)carbazol-9-yl]-5-cyano-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138729285
2,5-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729257
9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(2,4,6-trimethylphenyl)carbazole;9-[4-(4,6-diphenylpyrimidin-2-yl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 160719289

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (CID 138729208) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4c(C)cc(C)cc4C)ccc32)c(C)c1.
What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is ZNJHLQKGPPHLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N6/c1-38-29-40(3)60(41(4)30-38)46-25-27-56-52(33-46)49-21-13-15-23-54(49)69(56)58-35-48(37-65)51(64-67-62(44-17-9-7-10-18-44)66-63(68-64)45-19-11-8-12-20-45)36-59(58)70-55-24-16-14-22-50(55)53-34-47(26-28-57(53)70)61-42(5)31-39(2)32-43(61)6/h7-36H,1-6H3.
What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 901.13 g/mol, XLogP of 16.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 138729208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).