4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile

C56H46N4 — CID 134296333

IUPAC4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)nc(C)c5)c(-n5c6ccccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)cc4C#N)c3c2)c(C)c1
InChIInChI=1S/C56H46N4/c1-32-21-34(3)55(35(4)22-32)40-17-19-46-44-13-9-11-15-49(44)59(52(46)27-40)51-30-48(42-25-38(7)58-39(8)26-42)54(29-43(51)31-57)60-50-16-12-10-14-45(50)47-20-18-41(28-53(47)60)56-36(5)23-33(2)24-37(56)6/h9-30H,1-8H3
InChIKeyIVOFNBJRPYZFRI-UHFFFAOYSA-N
MW775.01 g/mol
LogP14.62
Rot. Bonds5

About 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile

4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (PubChem CID 134296333) has the molecular formula C56H46N4 and a molecular weight of 775.01 g/mol. Its IUPAC name is 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.

Molecular Properties

Compound Name4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
PubChem CID134296333
Molecular FormulaC56H46N4
Molecular Weight775.01 g/mol
Exact Mass774.37
IUPAC Name4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
SMILESCc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)nc(C)c5)c(-n5c6ccccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)cc4C#N)c3c2)c(C)c1
InChIInChI=1S/C56H46N4/c1-32-21-34(3)55(35(4)22-32)40-17-19-46-44-13-9-11-15-49(44)59(52(46)27-40)51-30-48(42-25-38(7)58-39(8)26-42)54(29-43(51)31-57)60-50-16-12-10-14-45(50)47-20-18-41(28-53(47)60)56-36(5)23-33(2)24-37(56)6/h9-30H,1-8H3
InChIKeyIVOFNBJRPYZFRI-UHFFFAOYSA-N
XLogP14.62
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.01
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-(2,6-dimethyl-4-pyridinyl)benzonitrile;9-[2-[3,6-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-4-(2,6-diphenyl-4-pyridinyl)-5-isocyanophenyl]-3,6-bis(2,4,6-trimethylphenyl)carbazole;9-[4-(2,6-diphenyl-4-pyridinyl)-5-isocyano-2-[3-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 157072749
2-(2,6-dimethyl-4-pyridinyl)-4,5-bis(2-methylcarbazol-9-yl)benzonitrile
CID 134292728
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-[2,7-bis[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-5-[2-[3,5-bis(trifluoromethyl)phenyl]-7-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134296340
4,5-bis[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134296295
5-[4-cyano-2,6-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]phenyl]benzene-1,3-dicarbonitrile
CID 139538740
4-(4,6-dimethylpyrimidin-2-yl)-2,5-bis[2-[3-methyl-5-(trifluoromethyl)phenyl]carbazol-9-yl]benzonitrile
CID 158411914
2-[2,7-bis(3-methylphenyl)carbazol-9-yl]-5-[4-[9-[2-cyano-5-(2,6-diphenyl-4-pyridinyl)-4-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-6-(3-methylphenyl)carbazol-3-yl]-2,7-bis(3-methylphenyl)carbazol-9-yl]-4-(2,6-dimethyl-4-pyridinyl)benzonitrile
CID 134302051
2,5-bis(2,7-dimethylcarbazol-9-yl)-4-(3,5-dimethylphenyl)benzonitrile
CID 134295538
4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-bis[3-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile
CID 134320909

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The IUPAC name of 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile (CID 134296333) is 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile.
What is the SMILES notation for 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The canonical SMILES for 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is Cc1cc(C)c(-c2ccc3c4ccccc4n(-c4cc(-c5cc(C)nc(C)c5)c(-n5c6ccccc6c6ccc(-c7c(C)cc(C)cc7C)cc65)cc4C#N)c3c2)c(C)c1.
What is the InChIKey of 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
The InChIKey is IVOFNBJRPYZFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4/c1-32-21-34(3)55(35(4)22-32)40-17-19-46-44-13-9-11-15-49(44)59(52(46)27-40)51-30-48(42-25-38(7)58-39(8)26-42)54(29-43(51)31-57)60-50-16-12-10-14-45(50)47-20-18-41(28-53(47)60)56-36(5)23-33(2)24-37(56)6/h9-30H,1-8H3.
What are the key properties of 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile?
4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile has a molecular weight of 775.01 g/mol, XLogP of 14.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-4-pyridinyl)-2,5-bis[2-(2,4,6-trimethylphenyl)carbazol-9-yl]benzonitrile is sourced from PubChem (CID 134296333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).