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

C52H42N4 — CID 167399451

IUPAC2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(C(c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C52H42N4/c1-37(2)38-31-32-53-51(33-38)56-47-26-13-12-25-45(47)46-30-29-42(35-50(46)56)52(39-17-6-3-7-18-39,40-19-8-4-9-20-40)41-21-16-24-44(34-41)55-36-54(43-22-10-5-11-23-43)48-27-14-15-28-49(48)55/h3-35,37H,36H2,1-2H3
InChIKeyWSIMSWUBCCNYFK-UHFFFAOYSA-N
MW722.94 g/mol
LogP12.93
Rot. Bonds8

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

2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole (PubChem CID 167399451) has the molecular formula C52H42N4 and a molecular weight of 722.94 g/mol. Its IUPAC name is 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole.

Molecular Properties

Compound Name2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
PubChem CID167399451
Molecular FormulaC52H42N4
Molecular Weight722.94 g/mol
Exact Mass722.34
IUPAC Name2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
SMILESCC(C)c1ccnc(-n2c3ccccc3c3ccc(C(c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1
InChIInChI=1S/C52H42N4/c1-37(2)38-31-32-53-51(33-38)56-47-26-13-12-25-45(47)46-30-29-42(35-50(46)56)52(39-17-6-3-7-18-39,40-19-8-4-9-20-40)41-21-16-24-44(34-41)55-36-54(43-22-10-5-11-23-43)48-27-14-15-28-49(48)55/h3-35,37H,36H2,1-2H3
InChIKeyWSIMSWUBCCNYFK-UHFFFAOYSA-N
XLogP12.93
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.94
LogP ≤ 512.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-methyl-2-pyridinyl)carbazole
CID 167399526
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
diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]-[9-(4-propan-2-yl-2-pyridinyl)carbazol-2-yl]silane
CID 167382940
9-(4-tert-butyl-2-pyridinyl)-2-[[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-diphenylmethyl]carbazole
CID 167399505
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
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-[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
[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenylsilane
CID 155651075
2-[[3-[3-(2-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-difluoromethyl]-9-[4-(1,1-diphenylethyl)-2-pyridinyl]carbazole
CID 163822722
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
9-(4-tert-butyl-2-pyridinyl)-2-[2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]carbazole
CID 167382027
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

Frequently Asked Questions

What is the IUPAC name of 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The IUPAC name of 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole (CID 167399451) is 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole.
What is the SMILES notation for 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The canonical SMILES for 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole is CC(C)c1ccnc(-n2c3ccccc3c3ccc(C(c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6ccccc6)c6ccccc65)c4)cc32)c1.
What is the InChIKey of 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
The InChIKey is WSIMSWUBCCNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42N4/c1-37(2)38-31-32-53-51(33-38)56-47-26-13-12-25-45(47)46-30-29-42(35-50(46)56)52(39-17-6-3-7-18-39,40-19-8-4-9-20-40)41-21-16-24-44(34-41)55-36-54(43-22-10-5-11-23-43)48-27-14-15-28-49(48)55/h3-35,37H,36H2,1-2H3.
What are the key properties of 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole?
2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole has a molecular weight of 722.94 g/mol, XLogP of 12.93, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diphenyl-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]methyl]-9-(4-propan-2-yl-2-pyridinyl)carbazole is sourced from PubChem (CID 167399451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).