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

C51H36N4 — CID 134292730

IUPAC2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5ccccc5C)ccc43)c2)ccn1
InChIInChI=1S/C51H36N4/c1-32-12-4-6-14-39(32)36-20-22-48-43(27-36)41-16-8-10-18-46(41)54(48)50-29-38(35-24-25-53-34(3)26-35)30-51(45(50)31-52)55-47-19-11-9-17-42(47)44-28-37(21-23-49(44)55)40-15-7-5-13-33(40)2/h4-30H,1-3H3
InChIKeyNEGDFULUQRDBSJ-UHFFFAOYSA-N
MW704.88 g/mol
LogP13.07
Rot. Bonds5

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

2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile (PubChem CID 134292730) has the molecular formula C51H36N4 and a molecular weight of 704.88 g/mol. Its IUPAC name is 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
PubChem CID134292730
Molecular FormulaC51H36N4
Molecular Weight704.88 g/mol
Exact Mass704.29
IUPAC Name2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
SMILESCc1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5ccccc5C)ccc43)c2)ccn1
InChIInChI=1S/C51H36N4/c1-32-12-4-6-14-39(32)36-20-22-48-43(27-36)41-16-8-10-18-46(41)54(48)50-29-38(35-24-25-53-34(3)26-35)30-51(45(50)31-52)55-47-19-11-9-17-42(47)44-28-37(21-23-49(44)55)40-15-7-5-13-33(40)2/h4-30H,1-3H3
InChIKeyNEGDFULUQRDBSJ-UHFFFAOYSA-N
XLogP13.07
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.88
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134293052
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
2,6-bis[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-[2-(3-phenylphenyl)-3-pyridinyl]benzonitrile
CID 166785160
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[3-(4-cyanophenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 134301953
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-(2-methyl-4-pyridinyl)benzonitrile
CID 134292886
4-pyridin-4-yl-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134292587
2,6-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-4-(3-cyanophenyl)benzonitrile
CID 155377762
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
2,6-bis[2,7-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile;2,6-bis[3,6-bis(2-phenyl-4-pyridinyl)carbazol-9-yl]-4-(3,5-difluorophenyl)benzonitrile;4-(3,5-difluorophenyl)-2,6-bis[2-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile;4-(3,5-difluorophenyl)-2,6-bis[3-(2-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 158091253
2,6-bis(3,6-diphenylcarbazol-9-yl)-4-(4-pyrido[2,3-b]indol-9-ylphenyl)benzonitrile
CID 139523682

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile?
The IUPAC name of 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile (CID 134292730) is 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile.
What is the SMILES notation for 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile?
The canonical SMILES for 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile is Cc1cc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5C)ccc43)c(C#N)c(-n3c4ccccc4c4cc(-c5ccccc5C)ccc43)c2)ccn1.
What is the InChIKey of 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile?
The InChIKey is NEGDFULUQRDBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N4/c1-32-12-4-6-14-39(32)36-20-22-48-43(27-36)41-16-8-10-18-46(41)54(48)50-29-38(35-24-25-53-34(3)26-35)30-51(45(50)31-52)55-47-19-11-9-17-42(47)44-28-37(21-23-49(44)55)40-15-7-5-13-33(40)2/h4-30H,1-3H3.
What are the key properties of 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile?
2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile has a molecular weight of 704.88 g/mol, XLogP of 13.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[3-(2-methylphenyl)carbazol-9-yl]-4-(2-methyl-4-pyridinyl)benzonitrile is sourced from PubChem (CID 134292730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).