2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile

C65H48N4 — CID 134293052

IUPAC2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccccc5C)ccc43)c(C#N)c(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccccc5C)ccc43)c2)ccn1
InChIInChI=1S/C65H48N4/c1-40-14-6-10-18-51(40)46-22-26-60-55(33-46)56-34-47(52-19-11-7-15-41(52)2)23-27-61(56)68(60)64-37-50(45-30-31-67-44(5)32-45)38-65(59(64)39-66)69-62-28-24-48(53-20-12-8-16-42(53)3)35-57(62)58-36-49(25-29-63(58)69)54-21-13-9-17-43(54)4/h6-38H,1-5H3
InChIKeyDIMHSZWESJJKMY-UHFFFAOYSA-N
MW885.13 g/mol
LogP17.02
Rot. Bonds7

About 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile

2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile (PubChem CID 134293052) has the molecular formula C65H48N4 and a molecular weight of 885.13 g/mol. Its IUPAC name is 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
PubChem CID134293052
Molecular FormulaC65H48N4
Molecular Weight885.13 g/mol
Exact Mass884.39
IUPAC Name2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccccc5C)ccc43)c(C#N)c(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccccc5C)ccc43)c2)ccn1
InChIInChI=1S/C65H48N4/c1-40-14-6-10-18-51(40)46-22-26-60-55(33-46)56-34-47(52-19-11-7-15-41(52)2)23-27-61(56)68(60)64-37-50(45-30-31-67-44(5)32-45)38-65(59(64)39-66)69-62-28-24-48(53-20-12-8-16-42(53)3)35-57(62)58-36-49(25-29-63(58)69)54-21-13-9-17-43(54)4/h6-38H,1-5H3
InChIKeyDIMHSZWESJJKMY-UHFFFAOYSA-N
XLogP17.02
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500885.13
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292730
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785160
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292886
4-[4-cyano-3-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-2-[3-(2-methylphenyl)carbazol-9-yl]benzonitrile
CID 138736274
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(6-phenyl-2-pyridinyl)benzonitrile
CID 155216720
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[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377762
2-[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-6-[3-(2,4-dimethylphenyl)-6-(2-methylphenyl)carbazol-9-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]benzonitrile
CID 134295734
2,6-bis[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301953
4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134292587
2-[3-[9-[2-cyano-3-(2-phenylcarbazol-9-yl)-5-[2-(2-phenylphenyl)-3-pyridinyl]phenyl]-7-phenylcarbazol-3-yl]-6-phenylcarbazol-9-yl]-6-(3-phenylcarbazol-9-yl)-4-[2-(2-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785146
4-[3-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 142577614

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile?
The IUPAC name of 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile (CID 134293052) is 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile is Cc1cc(-c2cc(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccccc5C)ccc43)c(C#N)c(-n3c4ccc(-c5ccccc5C)cc4c4cc(-c5ccccc5C)ccc43)c2)ccn1.
What is the InChIKey of 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile?
The InChIKey is DIMHSZWESJJKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H48N4/c1-40-14-6-10-18-51(40)46-22-26-60-55(33-46)56-34-47(52-19-11-7-15-41(52)2)23-27-61(56)68(60)64-37-50(45-30-31-67-44(5)32-45)38-65(59(64)39-66)69-62-28-24-48(53-20-12-8-16-42(53)3)35-57(62)58-36-49(25-29-63(58)69)54-21-13-9-17-43(54)4/h6-38H,1-5H3.
What are the key properties of 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile?
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile has a molecular weight of 885.13 g/mol, XLogP of 17.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 134293052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).