5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole

C55H47N5O — CID 176782965

About 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole

5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole (PubChem CID 176782965) has the molecular formula C55H47N5O and a molecular weight of 794.02 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
• PubChem CID: 176782965
• Molecular Formula: C55H47N5O
• Molecular Weight: 794.02 g/mol
• Exact Mass: 793.38
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole
• SMILES: Cc1cc(C)c(N2CN(c3cccc(Oc4ccc5c6cc7c(cc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c4ccccc4n7-c4ccccc4)c3)c3ccccc32)c(C)c1
• InChI: InChI=1S/C55H47N5O/c1-35-27-36(2)54(37(3)28-35)58-34-57(48-21-12-13-22-49(48)58)40-17-14-18-41(30-40)61-42-23-24-44-46-32-51-45(43-19-10-11-20-47(43)59(51)39-15-8-7-9-16-39)33-52(46)60(50(44)31-42)53-29-38(25-26-56-53)55(4,5)6/h7-33H,34H2,1-6H3
• InChIKey: DPTNCBCWZQAHTR-UHFFFAOYSA-N
• XLogP: 14.54
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	794.02
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole (CID 176782965) is 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole.

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole is Cc1cc(C)c(N2CN(c3cccc(Oc4ccc5c6cc7c(cc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c4ccccc4n7-c4ccccc4)c3)c3ccccc32)c(C)c1.

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole?

The InChIKey is DPTNCBCWZQAHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47N5O/c1-35-27-36(2)54(37(3)28-35)58-34-57(48-21-12-13-22-49(48)58)40-17-14-18-41(30-40)61-42-23-24-44-46-32-51-45(43-19-10-11-20-47(43)59(51)39-15-8-7-9-16-39)33-52(46)60(50(44)31-42)53-29-38(25-26-56-53)55(4,5)6/h7-33H,34H2,1-6H3.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole?

5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole has a molecular weight of 794.02 g/mol, XLogP of 14.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-11-phenyl-3-[3-[3-(2,4,6-trimethylphenyl)-2H-benzimidazol-1-yl]phenoxy]indolo[3,2-b]carbazole is sourced from PubChem (CID 176782965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).