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

C38H31N5 — CID 167382297

IUPAC9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
SMILES[2H]C([2H])([2H])N1CN(c2cccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C38H31N5/c1-27-21-22-39-38(23-27)43-34-16-7-6-15-32(34)33-20-19-31(25-37(33)43)42(28-11-4-3-5-12-28)30-14-10-13-29(24-30)41-26-40(2)35-17-8-9-18-36(35)41/h3-25H,26H2,1-2H3/i2D3
InChIKeyGECLCESFGZWYPD-BMSJAHLVSA-N
MW560.72 g/mol
LogP9.50
Rot. Bonds6

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

9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine (PubChem CID 167382297) has the molecular formula C38H31N5 and a molecular weight of 560.72 g/mol. Its IUPAC name is 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine.

Molecular Properties

Compound Name9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
PubChem CID167382297
Molecular FormulaC38H31N5
Molecular Weight560.72 g/mol
Exact Mass560.28
IUPAC Name9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
SMILES[2H]C([2H])([2H])N1CN(c2cccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C38H31N5/c1-27-21-22-39-38(23-27)43-34-16-7-6-15-32(34)33-20-19-31(25-37(33)43)42(28-11-4-3-5-12-28)30-14-10-13-29(24-30)41-26-40(2)35-17-8-9-18-36(35)41/h3-25H,26H2,1-2H3/i2D3
InChIKeyGECLCESFGZWYPD-BMSJAHLVSA-N
XLogP9.50
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.72
LogP ≤ 59.50
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-methyl-2-pyridinyl)-N-[9-(4-methyl-2-pyridinyl)carbazol-2-yl]-N-phenylcarbazol-2-amine
CID 140743280
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-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 177276738
5-[2,6-di(carbazol-9-yl)phenyl]-2-[2-(N-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]anilino)carbazol-9-yl]pyridine-4-carbonitrile
CID 169289005
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
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole
CID 167399526
dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
CID 167382822
diphenyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
CID 167382895
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-1-yl]phenyl]carbazol-2-amine
CID 162134068

Frequently Asked Questions

What is the IUPAC name of 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine?
The IUPAC name of 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine (CID 167382297) is 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine.
What is the SMILES notation for 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine?
The canonical SMILES for 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine is [2H]C([2H])([2H])N1CN(c2cccc(N(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(C)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine?
The InChIKey is GECLCESFGZWYPD-BMSJAHLVSA-N. The full InChI is InChI=1S/C38H31N5/c1-27-21-22-39-38(23-27)43-34-16-7-6-15-32(34)33-20-19-31(25-37(33)43)42(28-11-4-3-5-12-28)30-14-10-13-29(24-30)41-26-40(2)35-17-8-9-18-36(35)41/h3-25H,26H2,1-2H3/i2D3.
What are the key properties of 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine?
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine has a molecular weight of 560.72 g/mol, XLogP of 9.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine is sourced from PubChem (CID 167382297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).