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

C60H66N4O — CID 155651327

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole (PubChem CID 155651327) has the molecular formula C60H66N4O and a molecular weight of 859.21 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole
• PubChem CID: 155651327
• Molecular Formula: C60H66N4O
• Molecular Weight: 859.21 g/mol
• Exact Mass: 858.52
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole
• SMILES: CC(C)c1ccccc1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cccc(C(C)(C)C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1
• InChI: InChI=1S/C60H66N4O/c1-39(2)48-21-14-15-22-49(48)40-31-45(63-38-62(53-28-25-41(34-55(53)63)57(3,4)5)44-20-18-19-43(33-44)60(12,13)59(9,10)11)36-47(32-40)65-46-26-27-51-50-23-16-17-24-52(50)64(54(51)37-46)56-35-42(29-30-61-56)58(6,7)8/h14-37,39H,38H2,1-13H3
• InChIKey: RDBXUQOYDOMUNM-UHFFFAOYSA-N
• XLogP: 16.93
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.21
LogP ≤ 5	16.93
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)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole (CID 155651327) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole is CC(C)c1ccccc1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)C)ccn4)c3c2)cc(N2CN(c3cccc(C(C)(C)C(C)(C)C)c3)c3ccc(C(C)(C)C)cc32)c1.

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

The InChIKey is RDBXUQOYDOMUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H66N4O/c1-39(2)48-21-14-15-22-49(48)40-31-45(63-38-62(53-28-25-41(34-55(53)63)57(3,4)5)44-20-18-19-43(33-44)60(12,13)59(9,10)11)36-47(32-40)65-46-26-27-51-50-23-16-17-24-52(50)64(54(51)37-46)56-35-42(29-30-61-56)58(6,7)8/h14-37,39H,38H2,1-13H3.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole has a molecular weight of 859.21 g/mol, XLogP of 16.93, 8 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)-2-[3-[6-tert-butyl-3-[3-(2,3,3-trimethylbutan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-propan-2-ylphenyl)phenoxy]carbazole is sourced from PubChem (CID 155651327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).