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

C62H44N6 — CID 138729264

IUPAC2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1
InChIInChI=1S/C62H44N6/c1-38-23-27-47(40(3)31-38)44-25-29-56-51(33-44)49-19-11-13-21-54(49)67(56)58-36-53(62-65-60(42-15-7-5-8-16-42)64-61(66-62)43-17-9-6-10-18-43)59(35-46(58)37-63)68-55-22-14-12-20-50(55)52-34-45(26-30-57(52)68)48-28-24-39(2)32-41(48)4/h5-36H,1-4H3
InChIKeyHDRVDBLNCSYFPE-UHFFFAOYSA-N
MW873.08 g/mol
LogP15.51
Rot. Bonds7

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

2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 138729264) has the molecular formula C62H44N6 and a molecular weight of 873.08 g/mol. Its IUPAC name is 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

Compound Name2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
PubChem CID138729264
Molecular FormulaC62H44N6
Molecular Weight873.08 g/mol
Exact Mass872.36
IUPAC Name2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1
InChIInChI=1S/C62H44N6/c1-38-23-27-47(40(3)31-38)44-25-29-56-51(33-44)49-19-11-13-21-54(49)67(56)58-36-53(62-65-60(42-15-7-5-8-16-42)64-61(66-62)43-17-9-6-10-18-43)59(35-46(58)37-63)68-55-22-14-12-20-50(55)52-34-45(26-30-57(52)68)48-28-24-39(2)32-41(48)4/h5-36H,1-4H3
InChIKeyHDRVDBLNCSYFPE-UHFFFAOYSA-N
XLogP15.51
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.08
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
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-[3-[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-[2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 139496163
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
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,5-bis[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138729658
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-[3-(2-cyanophenyl)-2-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 155447179
9-[2-[3-[2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 162500648
9-[2,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2,4-dimethylphenyl)carbazole
CID 167168633
9-[2-(2-carbazol-9-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,6-bis(2,4-dimethylphenyl)carbazole
CID 155462522
2,5-bis(3-carbazol-9-ylcarbazol-9-yl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134321066

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The IUPAC name of 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 138729264) is 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.
What is the SMILES notation for 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The canonical SMILES for 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c(-n3c4ccccc4c4cc(-c5ccc(C)cc5C)ccc43)cc2C#N)c(C)c1.
What is the InChIKey of 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
The InChIKey is HDRVDBLNCSYFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H44N6/c1-38-23-27-47(40(3)31-38)44-25-29-56-51(33-44)49-19-11-13-21-54(49)67(56)58-36-53(62-65-60(42-15-7-5-8-16-42)64-61(66-62)43-17-9-6-10-18-43)59(35-46(58)37-63)68-55-22-14-12-20-50(55)52-34-45(26-30-57(52)68)48-28-24-39(2)32-41(48)4/h5-36H,1-4H3.
What are the key properties of 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile?
2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 873.08 g/mol, XLogP of 15.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 138729264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).