4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile

C54H42N4 — CID 134292587

IUPAC4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2C#N)c(C)c1
InChIInChI=1S/C54H42N4/c1-32-23-34(3)53(35(4)24-32)39-15-17-49-44(27-39)42-11-7-9-13-47(42)57(49)51-29-41(38-19-21-56-22-20-38)30-52(46(51)31-55)58-48-14-10-8-12-43(48)45-28-40(16-18-50(45)58)54-36(5)25-33(2)26-37(54)6/h7-30H,1-6H3
InChIKeyVQLPWMNYDIYVJR-UHFFFAOYSA-N
MW746.96 g/mol
LogP14.00
Rot. Bonds5

About 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile

4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 134292587) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID134292587
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC Name4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2C#N)c(C)c1
InChIInChI=1S/C54H42N4/c1-32-23-34(3)53(35(4)24-32)39-15-17-49-44(27-39)42-11-7-9-13-47(42)57(49)51-29-41(38-19-21-56-22-20-38)30-52(46(51)31-55)58-48-14-10-8-12-43(48)45-28-40(16-18-50(45)58)54-36(5)25-33(2)26-37(54)6/h7-30H,1-6H3
InChIKeyVQLPWMNYDIYVJR-UHFFFAOYSA-N
XLogP14.00
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301953
2,6-bis(2-methylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292741
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134320909
2,6-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134296278
2,6-bis[2-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134293067
2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-6-[3-[3-[3-[9-[2-cyano-3-[2-(3-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]carbazol-2-yl]-5-methylphenyl]-2-methylphenyl]-6-(2-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 154966870
2,6-bis[2,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-difluorophenyl)benzonitrile
CID 148504830
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292730
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,5-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 138730538
9-[4-isocyano-5-pyridin-4-yl-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 140846562
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-pyridin-4-ylbenzonitrile
CID 134292888
4-(2,6-difluorophenyl)-2,6-bis(3-pyrimidin-2-ylcarbazol-9-yl)benzonitrile
CID 146982199

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (CID 134292587) is 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is Cc1cc(C)c(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)cc(-n3c4ccccc4c4cc(-c5c(C)cc(C)cc5C)ccc43)c2C#N)c(C)c1.
What is the InChIKey of 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is VQLPWMNYDIYVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4/c1-32-23-34(3)53(35(4)24-32)39-15-17-49-44(27-39)42-11-7-9-13-47(42)57(49)51-29-41(38-19-21-56-22-20-38)30-52(46(51)31-55)58-48-14-10-8-12-43(48)45-28-40(16-18-50(45)58)54-36(5)25-33(2)26-37(54)6/h7-30H,1-6H3.
What are the key properties of 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 746.96 g/mol, XLogP of 14.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 134292587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).