9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine

C49H37N5 — CID 177276738

IUPAC9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
SMILESCc1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C49H37N5/c1-35-15-8-9-22-42(35)36-29-30-50-49(31-36)54-45-24-11-10-23-43(45)44-28-27-41(33-48(44)54)53(38-18-6-3-7-19-38)40-21-14-20-39(32-40)52-34-51(37-16-4-2-5-17-37)46-25-12-13-26-47(46)52/h2-33H,34H2,1H3
InChIKeySPCIOMIWADCFOA-UHFFFAOYSA-N
MW695.87 g/mol
LogP12.87
Rot. Bonds7

About 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine

9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine (PubChem CID 177276738) has the molecular formula C49H37N5 and a molecular weight of 695.87 g/mol. Its IUPAC name is 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound Name9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
PubChem CID177276738
Molecular FormulaC49H37N5
Molecular Weight695.87 g/mol
Exact Mass695.30
IUPAC Name9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
SMILESCc1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C49H37N5/c1-35-15-8-9-22-42(35)36-29-30-50-49(31-36)54-45-24-11-10-23-43(45)44-28-27-41(33-48(44)54)53(38-18-6-3-7-19-38)40-21-14-20-39(32-40)52-34-51(37-16-4-2-5-17-37)46-25-12-13-26-47(46)52/h2-33H,34H2,1H3
InChIKeySPCIOMIWADCFOA-UHFFFAOYSA-N
XLogP12.87
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.87
LogP ≤ 512.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382419
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-1-yl]phenyl]carbazol-2-amine
CID 162134068
N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 155623173
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-dimethyl-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]silane
CID 167382172
N-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]-N-phenylcarbazol-2-amine
CID 158993975
N-phenyl-9-[4-(2-phenyl-2-adamantyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 162696235
[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]-diphenylsilane
CID 167381968
N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-phenylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382622
N-(2,6-dimethylphenyl)-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 155622863
9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(9,9-dimethyl-3-phenylfluoren-4-yl)-2H-benzimidazol-1-yl]phenyl]-N-phenylcarbazol-2-amine
CID 169065994
N-[3-(3-tert-butyl-2H-benzimidazol-1-yl)phenyl]-N-(2,6-diphenylphenyl)-9-(4-propan-2-yl-2-pyridinyl)carbazol-2-amine
CID 155623126

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The IUPAC name of 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine (CID 177276738) is 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The canonical SMILES for 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine is Cc1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(N(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The InChIKey is SPCIOMIWADCFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H37N5/c1-35-15-8-9-22-42(35)36-29-30-50-49(31-36)54-45-24-11-10-23-43(45)44-28-27-41(33-48(44)54)53(38-18-6-3-7-19-38)40-21-14-20-39(32-40)52-34-51(37-16-4-2-5-17-37)46-25-12-13-26-47(46)52/h2-33H,34H2,1H3.
What are the key properties of 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine has a molecular weight of 695.87 g/mol, XLogP of 12.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 177276738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).