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

C64H48N6 — CID 134320909

IUPAC4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2C#N)c(C)c1
InChIInChI=1S/C64H48N6/c1-38-29-40(3)60(41(4)30-38)46-25-27-56-51(33-46)49-21-13-15-23-54(49)69(56)58-35-48(64-67-62(44-17-9-7-10-18-44)66-63(68-64)45-19-11-8-12-20-45)36-59(53(58)37-65)70-55-24-16-14-22-50(55)52-34-47(26-28-57(52)70)61-42(5)31-39(2)32-43(61)6/h7-36H,1-6H3
InChIKeyFXKNHRGGRLUEMU-UHFFFAOYSA-N
MW901.13 g/mol
LogP16.12
Rot. Bonds7

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

4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 134320909) has the molecular formula C64H48N6 and a molecular weight of 901.13 g/mol. Its IUPAC name is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID134320909
Molecular FormulaC64H48N6
Molecular Weight901.13 g/mol
Exact Mass900.39
IUPAC Name4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2C#N)c(C)c1
InChIInChI=1S/C64H48N6/c1-38-29-40(3)60(41(4)30-38)46-25-27-56-51(33-46)49-21-13-15-23-54(49)69(56)58-35-48(64-67-62(44-17-9-7-10-18-44)66-63(68-64)45-19-11-8-12-20-45)36-59(53(58)37-65)70-55-24-16-14-22-50(55)52-34-47(26-28-57(52)70)61-42(5)31-39(2)32-43(61)6/h7-36H,1-6H3
InChIKeyFXKNHRGGRLUEMU-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-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138729208
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
4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134292587
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
2,6-bis[3-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-(4,6-diphenylpyrimidin-2-yl)benzonitrile
CID 155217683
2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729264
9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-fluorophenyl)phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 138549402
9-[2-(2-carbazol-9-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole
CID 155462612
3,5-bis[2,7-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[3,6-bis(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile;3,5-bis[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile;4-(4,6-dimethyl-1,3,5-triazin-2-yl)-3,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile;4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile;methane
CID 159637061
9-[2-cyano-3-(3-cyanocarbazol-9-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217487
3,5-bis(2,6-diphenylpyrimidin-4-yl)-4-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 156511407

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (CID 134320909) is 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2C#N)c(C)c1.
What is the InChIKey of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is FXKNHRGGRLUEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N6/c1-38-29-40(3)60(41(4)30-38)46-25-27-56-51(33-46)49-21-13-15-23-54(49)69(56)58-35-48(64-67-62(44-17-9-7-10-18-44)66-63(68-64)45-19-11-8-12-20-45)36-59(53(58)37-65)70-55-24-16-14-22-50(55)52-34-47(26-28-57(52)70)61-42(5)31-39(2)32-43(61)6/h7-36H,1-6H3.
What are the key properties of 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-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 4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 134320909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).