3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole

C44H40N4 — CID 140934417

IUPAC3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc5c3[nH]c3ccccc35)n4-c3ccccc3)c2)c1
InChIInChI=1S/C44H40N4/c1-43(2,3)30-22-23-45-38(27-30)29-15-12-14-28(24-29)33-19-13-21-39-41(33)47-42(48(39)32-16-8-7-9-17-32)36-26-31(44(4,5)6)25-35-34-18-10-11-20-37(34)46-40(35)36/h7-27,46H,1-6H3
InChIKeyMJDXDWMYOXYBGO-UHFFFAOYSA-N
MW624.83 g/mol
LogP11.65
Rot. Bonds4

About 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole

3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole (PubChem CID 140934417) has the molecular formula C44H40N4 and a molecular weight of 624.83 g/mol. Its IUPAC name is 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
PubChem CID140934417
Molecular FormulaC44H40N4
Molecular Weight624.83 g/mol
Exact Mass624.33
IUPAC Name3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
SMILESCC(C)(C)c1ccnc(-c2cccc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc5c3[nH]c3ccccc35)n4-c3ccccc3)c2)c1
InChIInChI=1S/C44H40N4/c1-43(2,3)30-22-23-45-38(27-30)29-15-12-14-28(24-29)33-19-13-21-39-41(33)47-42(48(39)32-16-8-7-9-17-32)36-26-31(44(4,5)6)25-35-34-18-10-11-20-37(34)46-40(35)36/h7-27,46H,1-6H3
InChIKeyMJDXDWMYOXYBGO-UHFFFAOYSA-N
XLogP11.65
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.83
LogP ≤ 511.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-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

1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
CID 140934236
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934309
3-tert-butyl-1-[4-(3-isoquinolin-1-ylphenyl)-1-naphthalen-1-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934174
2-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-7-[1-(4-methylphenyl)-2-(3-phenyl-9H-carbazol-1-yl)benzimidazol-4-yl]carbazole
CID 176643042
3,6-ditert-butyl-1-[4-[3-phenyl-5-(4-phenyl-2-pyridinyl)phenyl]-1-propan-2-ylbenzimidazol-2-yl]-9H-carbazole
CID 140934602
3,6-ditert-butyl-1-[1-(4-tert-butylphenyl)-4-[3-(9-phenylfluoren-9-yl)phenyl]benzimidazol-2-yl]-9H-carbazole
CID 176642568
1-[3-[2-(3-tert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934132
4-[4-[3-tert-butyl-5-[4-(9H-carbazol-1-yl)-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 177094124
3-tert-butyl-1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934574
6-tert-butyl-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-9-(4-propan-2-yl-2-pyridinyl)carbazole
CID 176643493
1-[3-[2-(3,6-ditert-butyl-9H-carbazol-1-yl)-1-(2-phenylphenyl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934600
9-(4-tert-butyl-2-pyridinyl)-2-[2-(9H-carbazol-1-yl)-1-phenylbenzimidazol-4-yl]-6-[2,6-di(propan-2-yl)phenyl]carbazole
CID 176642782

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole (CID 140934417) is 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole is CC(C)(C)c1ccnc(-c2cccc(-c3cccc4c3nc(-c3cc(C(C)(C)C)cc5c3[nH]c3ccccc35)n4-c3ccccc3)c2)c1.
What is the InChIKey of 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole?
The InChIKey is MJDXDWMYOXYBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H40N4/c1-43(2,3)30-22-23-45-38(27-30)29-15-12-14-28(24-29)33-19-13-21-39-41(33)47-42(48(39)32-16-8-7-9-17-32)36-26-31(44(4,5)6)25-35-34-18-10-11-20-37(34)46-40(35)36/h7-27,46H,1-6H3.
What are the key properties of 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole?
3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole has a molecular weight of 624.83 g/mol, XLogP of 11.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 140934417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).