2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole

C45H44N4 — CID 167382062

IUPAC2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
SMILESCC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(C(C)(C)c4cccc(N5CN(C(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C45H44N4/c1-30(2)36-16-7-8-17-37(36)32-24-25-46-44(26-32)49-40-19-10-9-18-38(40)39-23-22-34(28-43(39)49)45(5,6)33-14-13-15-35(27-33)48-29-47(31(3)4)41-20-11-12-21-42(41)48/h7-28,30-31H,29H2,1-6H3
InChIKeyIOSCZGLMMZFIER-UHFFFAOYSA-N
MW640.88 g/mol
LogP11.62
Rot. Bonds7

About 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole

2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole (PubChem CID 167382062) has the molecular formula C45H44N4 and a molecular weight of 640.88 g/mol. Its IUPAC name is 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole.

Molecular Properties

Compound Name2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
PubChem CID167382062
Molecular FormulaC45H44N4
Molecular Weight640.88 g/mol
Exact Mass640.36
IUPAC Name2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
SMILESCC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(C(C)(C)c4cccc(N5CN(C(C)C)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C45H44N4/c1-30(2)36-16-7-8-17-37(36)32-24-25-46-44(26-32)49-40-19-10-9-18-38(40)39-23-22-34(28-43(39)49)45(5,6)33-14-13-15-35(27-33)48-29-47(31(3)4)41-20-11-12-21-42(41)48/h7-28,30-31H,29H2,1-6H3
InChIKeyIOSCZGLMMZFIER-UHFFFAOYSA-N
XLogP11.62
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.88
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401803
2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 169055773
dimethyl-[9-[4-(2-phenylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]silane
CID 167382436
2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]methyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
CID 167399455
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401736
9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole
CID 167401543
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-(2,6-dimethylphenyl)-2-pyridinyl]-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167381901
9-(4-tert-butyl-2-pyridinyl)-2-[[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-bis[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenyl]methyl]carbazole
CID 176645144
dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
CID 167381737
1-methyl-3-[3-[2-[9-[4-(2-methylphenyl)-2-pyridinyl]carbazol-2-yl]propan-2-yl]phenyl]-2,1,3-benzoxadiazole
CID 159702767
2-[2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-9-(4-tert-butyl-2-pyridinyl)carbazole
CID 155651337

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The IUPAC name of 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) is 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole.
What is the SMILES notation for 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The canonical SMILES for 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole is CC(C)c1ccccc1-c1ccnc(-n2c3ccccc3c3ccc(C(C)(C)c4cccc(N5CN(C(C)C)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
The InChIKey is IOSCZGLMMZFIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H44N4/c1-30(2)36-16-7-8-17-37(36)32-24-25-46-44(26-32)49-40-19-10-9-18-38(40)39-23-22-34(28-43(39)49)45(5,6)33-14-13-15-35(27-33)48-29-47(31(3)4)41-20-11-12-21-42(41)48/h7-28,30-31H,29H2,1-6H3.
What are the key properties of 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole?
2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole has a molecular weight of 640.88 g/mol, XLogP of 11.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenyl]propan-2-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 167382062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).