9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

C64H58N4O — CID 159537153

About 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 159537153) has the molecular formula C64H58N4O and a molecular weight of 899.20 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 159537153
• Molecular Formula: C64H58N4O
• Molecular Weight: 899.20 g/mol
• Exact Mass: 898.46
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cc(N5CN(c6cccc(C(C)(C)c7ccccc7)c6)c6ccccc65)cc(C(C)(C)c5ccccc5)c4)cc32)c1
• InChI: InChI=1S/C64H58N4O/c1-62(2,3)48-34-35-65-61(40-48)68-57-33-30-45(44-20-11-8-12-21-44)36-56(57)55-32-31-53(42-60(55)68)69-54-39-50(64(6,7)47-24-15-10-16-25-47)38-52(41-54)67-43-66(58-28-17-18-29-59(58)67)51-27-19-26-49(37-51)63(4,5)46-22-13-9-14-23-46/h8-42H,43H2,1-7H3
• InChIKey: QEYOKMVFAZOEJZ-UHFFFAOYSA-N
• XLogP: 16.83
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	899.20
LogP ≤ 5	16.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 159537153) is 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cc(N5CN(c6cccc(C(C)(C)c7ccccc7)c6)c6ccccc65)cc(C(C)(C)c5ccccc5)c4)cc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is QEYOKMVFAZOEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N4O/c1-62(2,3)48-34-35-65-61(40-48)68-57-33-30-45(44-20-11-8-12-21-44)36-56(57)55-32-31-53(42-60(55)68)69-54-39-50(64(6,7)47-24-15-10-16-25-47)38-52(41-54)67-43-66(58-28-17-18-29-59(58)67)51-27-19-26-49(37-51)63(4,5)46-22-13-9-14-23-46/h8-42H,43H2,1-7H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 899.20 g/mol, XLogP of 16.83, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-6-phenyl-2-[3-(2-phenylpropan-2-yl)-5-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 159537153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).