N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine

C53H45N5 — CID 155623173

IUPACN-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
SMILESCc1cccc(C)c1N(c1cccc(N2CN(C(C)C)c3ccccc32)c1)c1ccc2c3ccccc3n(-c3cc(-c4ccccc4-c4ccccc4)ccn3)c2c1
InChIInChI=1S/C53H45N5/c1-36(2)55-35-56(50-27-13-12-26-49(50)55)41-20-15-21-42(33-41)57(53-37(3)16-14-17-38(53)4)43-28-29-47-46-24-10-11-25-48(46)58(51(47)34-43)52-32-40(30-31-54-52)45-23-9-8-22-44(45)39-18-6-5-7-19-39/h5-34,36H,35H2,1-4H3
InChIKeyYEPIPWCNYJZFGF-UHFFFAOYSA-N
MW751.98 g/mol
LogP13.92
Rot. Bonds8

About N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine

N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine (PubChem CID 155623173) has the molecular formula C53H45N5 and a molecular weight of 751.98 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
PubChem CID155623173
Molecular FormulaC53H45N5
Molecular Weight751.98 g/mol
Exact Mass751.37
IUPAC NameN-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
SMILESCc1cccc(C)c1N(c1cccc(N2CN(C(C)C)c3ccccc32)c1)c1ccc2c3ccccc3n(-c3cc(-c4ccccc4-c4ccccc4)ccn3)c2c1
InChIInChI=1S/C53H45N5/c1-36(2)55-35-56(50-27-13-12-26-49(50)55)41-20-15-21-42(33-41)57(53-37(3)16-14-17-38(53)4)43-28-29-47-46-24-10-11-25-48(46)58(51(47)34-43)52-32-40(30-31-54-52)45-23-9-8-22-44(45)39-18-6-5-7-19-39/h5-34,36H,35H2,1-4H3
InChIKeyYEPIPWCNYJZFGF-UHFFFAOYSA-N
XLogP13.92
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.98
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine
CID 177276738
dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane
CID 167382436
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
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-(2,6-dimethylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382419
2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167382062
2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401803
N-phenyl-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)benzene-2-id-1-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-1H-carbazol-1-id-2-amine;platinum(2+)
CID 167382386
9-[4-(2-methylphenyl)-2-pyridinyl]-N-phenyl-N-[3-[3-(trideuteriomethyl)-2,1,3-benzoxadiazol-1-yl]phenyl]carbazol-2-amine
CID 162134068
9-(4-methyl-2-pyridinyl)-N-phenyl-N-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]carbazol-2-amine
CID 167382297
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-cyclohexa-1,3-dien-1-yl-6-phenylphenyl)-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-[3-(3-phenyl-2H-benzimidazol-2-ylium-1-yl)phenyl]carbazol-2-amine
CID 168748456

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The IUPAC name of 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) is N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine is Cc1cccc(C)c1N(c1cccc(N2CN(C(C)C)c3ccccc32)c1)c1ccc2c3ccccc3n(-c3cc(-c4ccccc4-c4ccccc4)ccn3)c2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
The InChIKey is YEPIPWCNYJZFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N5/c1-36(2)55-35-56(50-27-13-12-26-49(50)55)41-20-15-21-42(33-41)57(53-37(3)16-14-17-38(53)4)43-28-29-47-46-24-10-11-25-48(46)58(51(47)34-43)52-32-40(30-31-54-52)45-23-9-8-22-44(45)39-18-6-5-7-19-39/h5-34,36H,35H2,1-4H3.
What are the key properties of N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine?
N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine has a molecular weight of 751.98 g/mol, XLogP of 13.92, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-9-[4-(2-phenylphenyl)-2-pyridinyl]-N-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]carbazol-2-amine is sourced from PubChem (CID 155623173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).