2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

C64H48N6 — CID 138729193

IUPAC2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(-c5nc(C)nc(C)n5)c(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)cc4C#N)c3c2)cc1
InChIInChI=1S/C64H48N6/c1-38-7-15-44(16-8-38)48-23-27-53-54-28-24-49(45-17-9-39(2)10-18-45)32-60(54)69(59(53)31-48)58-36-57(64-67-42(5)66-43(6)68-64)63(35-52(58)37-65)70-61-33-50(46-19-11-40(3)12-20-46)25-29-55(61)56-30-26-51(34-62(56)70)47-21-13-41(4)14-22-47/h7-36H,1-6H3
InChIKeyNDDFIGUVWOLSMZ-UHFFFAOYSA-N
MW901.13 g/mol
LogP16.12
Rot. Bonds7

About 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile

2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 138729193) has the molecular formula C64H48N6 and a molecular weight of 901.13 g/mol. Its IUPAC name is 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID138729193
Molecular FormulaC64H48N6
Molecular Weight901.13 g/mol
Exact Mass900.39
IUPAC Name2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(-c5nc(C)nc(C)n5)c(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)cc4C#N)c3c2)cc1
InChIInChI=1S/C64H48N6/c1-38-7-15-44(16-8-38)48-23-27-53-54-28-24-49(45-17-9-39(2)10-18-45)32-60(54)69(59(53)31-48)58-36-57(64-67-42(5)66-43(6)68-64)63(35-52(58)37-65)70-61-33-50(46-19-11-40(3)12-20-46)25-29-55(61)56-30-26-51(34-62(56)70)47-21-13-41(4)14-22-47/h7-36H,1-6H3
InChIKeyNDDFIGUVWOLSMZ-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

3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508047
2-(4,6-dimethyl-1,3,5-triazin-2-yl)-4,5-bis(2-phenylcarbazol-9-yl)benzonitrile
CID 138729657
2,5-bis(2,7-ditert-butylcarbazol-9-yl)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 138728920
5-[9-[4-[2,7-bis(3,5-dicyanophenyl)carbazol-9-yl]-2-cyano-5-(4,6-dimethylpyrimidin-2-yl)phenyl]-7-(3,5-dicyanophenyl)carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 155217506
3-(4,6-dimethyl-1,3,5-triazin-2-yl)-4-(2-phenylcarbazol-9-yl)benzonitrile
CID 134508080
2-[2,7-bis(4-isocyanophenyl)carbazol-9-yl]-5-[2-(4-cyanophenyl)-7-(4-isocyanophenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 158698213
3-[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethylpyrimidin-2-yl)benzonitrile
CID 155014684
4-[2,7-bis(3-methylphenyl)carbazol-9-yl]-3-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508087
3-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134508053
3-[2-(3,5-dimethylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile
CID 134476151
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157
4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 134508031

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile (CID 138729193) is 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is Cc1ccc(-c2ccc3c4ccc(-c5ccc(C)cc5)cc4n(-c4cc(-c5nc(C)nc(C)n5)c(-n5c6cc(-c7ccc(C)cc7)ccc6c6ccc(-c7ccc(C)cc7)cc65)cc4C#N)c3c2)cc1.
What is the InChIKey of 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is NDDFIGUVWOLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H48N6/c1-38-7-15-44(16-8-38)48-23-27-53-54-28-24-49(45-17-9-39(2)10-18-45)32-60(54)69(59(53)31-48)58-36-57(64-67-42(5)66-43(6)68-64)63(35-52(58)37-65)70-61-33-50(46-19-11-40(3)12-20-46)25-29-55(61)56-30-26-51(34-62(56)70)47-21-13-41(4)14-22-47/h7-36H,1-6H3.
What are the key properties of 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile?
2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-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 2,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-4-(4,6-dimethyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 138729193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).