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

C61H60N4O — CID 158904655

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 158904655) has the molecular formula C61H60N4O and a molecular weight of 865.18 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 158904655
• Molecular Formula: C61H60N4O
• Molecular Weight: 865.18 g/mol
• Exact Mass: 864.48
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c1)CN2c1cccc(C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C61H60N4O/c1-40(2)50-25-17-26-51(41(3)4)59(50)42-28-31-55-57(34-42)64(39-63(55)46-21-15-20-45(35-46)61(8,9)43-18-11-10-12-19-43)47-22-16-23-48(37-47)66-49-29-30-53-52-24-13-14-27-54(52)65(56(53)38-49)58-36-44(32-33-62-58)60(5,6)7/h10-38,40-41H,39H2,1-9H3
• InChIKey: VHRAYSRJIZGHLY-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.18
LogP ≤ 5	16.76
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-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 158904655) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-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)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c1)CN2c1cccc(C(C)(C)c2ccccc2)c1.

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

The InChIKey is VHRAYSRJIZGHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60N4O/c1-40(2)50-25-17-26-51(41(3)4)59(50)42-28-31-55-57(34-42)64(39-63(55)46-21-15-20-45(35-46)61(8,9)43-18-11-10-12-19-43)47-22-16-23-48(37-47)66-49-29-30-53-52-24-13-14-27-54(52)65(56(53)38-49)58-36-44(32-33-62-58)60(5,6)7/h10-38,40-41H,39H2,1-9H3.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 865.18 g/mol, XLogP of 16.76, 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)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 158904655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).