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

C53H51N5O — CID 177094124

About 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

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 (PubChem CID 177094124) has the molecular formula C53H51N5O and a molecular weight of 774.03 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 177094124
• Molecular Formula: C53H51N5O
• Molecular Weight: 774.03 g/mol
• Exact Mass: 773.41
• IUPAC Name: 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
• SMILES: CC(C)(C)c1cc(-c2cc(-c3cccc4c3[nH]c3ccccc34)ccn2)cc(-c2cccc3c2nc(-c2ccncc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1
• InChI: InChI=1S/C53H51N5O/c1-51(2,3)35-25-33(24-34(26-35)45-27-32(20-23-55-45)39-15-12-17-42-41-14-10-11-18-44(41)56-48(39)42)40-16-13-19-46-49(40)57-50(43-21-22-54-31-47(43)59)58(46)38-29-36(52(4,5)6)28-37(30-38)53(7,8)9/h10-31,56,59H,1-9H3
• InChIKey: SKJKCEAWGVZRKV-UHFFFAOYSA-N
• XLogP: 13.72
• TPSA: 79.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.03
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)(C)c1cc(-c2cc(-c3cccc4c3[nH]c3ccccc34)ccn2)cc(-c2cccc3c2nc(-c2ccncc2O)n3-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1.

What is the InChIKey of 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?

The InChIKey is SKJKCEAWGVZRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H51N5O/c1-51(2,3)35-25-33(24-34(26-35)45-27-32(20-23-55-45)39-15-12-17-42-41-14-10-11-18-44(41)56-48(39)42)40-16-13-19-46-49(40)57-50(43-21-22-54-31-47(43)59)58(46)38-29-36(52(4,5)6)28-37(30-38)53(7,8)9/h10-31,56,59H,1-9H3.

What are the key properties of 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?

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 has a molecular weight of 774.03 g/mol, XLogP of 13.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 177094124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).