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

C40H34N4S — CID 167401543

IUPAC9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole
SMILES[2H]C([2H])([2H])N1CN(c2cccc(Sc3ccc4c5ccccc5n(-c5cc(-c6ccccc6C(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C40H34N4S/c1-27(2)32-13-4-5-14-33(32)28-21-22-41-40(23-28)44-36-16-7-6-15-34(36)35-20-19-31(25-39(35)44)45-30-12-10-11-29(24-30)43-26-42(3)37-17-8-9-18-38(37)43/h4-25,27H,26H2,1-3H3/i3D3
InChIKeyWSFJQVRJPLXHNG-HPRDVNIFSA-N
MW605.83 g/mol
LogP10.67
Rot. Bonds7

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

9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole (PubChem CID 167401543) has the molecular formula C40H34N4S and a molecular weight of 605.83 g/mol. Its IUPAC name is 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole.

Molecular Properties

Compound Name9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole
PubChem CID167401543
Molecular FormulaC40H34N4S
Molecular Weight605.83 g/mol
Exact Mass605.27
IUPAC Name9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole
SMILES[2H]C([2H])([2H])N1CN(c2cccc(Sc3ccc4c5ccccc5n(-c5cc(-c6ccccc6C(C)C)ccn5)c4c3)c2)c2ccccc21
InChIInChI=1S/C40H34N4S/c1-27(2)32-13-4-5-14-33(32)28-21-22-41-40(23-28)44-36-16-7-6-15-34(36)35-20-19-31(25-39(35)44)45-30-12-10-11-29(24-30)43-26-42(3)37-17-8-9-18-38(37)43/h4-25,27H,26H2,1-3H3/i3D3
InChIKeyWSFJQVRJPLXHNG-HPRDVNIFSA-N
XLogP10.67
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.83
LogP ≤ 510.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

dimethyl-[9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazol-2-yl]-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
CID 167381737
[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]silane
CID 167382905
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
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
2-[3-(3-propan-2-yl-2H-benzimidazol-1-yl)phenoxy]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401803
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
2-[9-[3-(3-phenyl-2H-benzimidazol-1-yl)phenyl]fluoren-9-yl]-9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]carbazole
CID 167401736
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
9-[4-(2,6-diphenylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
CID 167401517
[9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazol-2-yl]-dimethyl-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]silane
CID 167381579
9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-2-[9-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]fluoren-9-yl]carbazole
CID 167401170

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole?
The IUPAC name of 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole (CID 167401543) is 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole.
What is the SMILES notation for 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole?
The canonical SMILES for 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole is [2H]C([2H])([2H])N1CN(c2cccc(Sc3ccc4c5ccccc5n(-c5cc(-c6ccccc6C(C)C)ccn5)c4c3)c2)c2ccccc21.
What is the InChIKey of 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole?
The InChIKey is WSFJQVRJPLXHNG-HPRDVNIFSA-N. The full InChI is InChI=1S/C40H34N4S/c1-27(2)32-13-4-5-14-33(32)28-21-22-41-40(23-28)44-36-16-7-6-15-34(36)35-20-19-31(25-39(35)44)45-30-12-10-11-29(24-30)43-26-42(3)37-17-8-9-18-38(37)43/h4-25,27H,26H2,1-3H3/i3D3.
What are the key properties of 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole?
9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole has a molecular weight of 605.83 g/mol, XLogP of 10.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2-propan-2-ylphenyl)-2-pyridinyl]-2-[3-[3-(trideuteriomethyl)-2H-benzimidazol-1-yl]phenyl]sulfanylcarbazole is sourced from PubChem (CID 167401543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).