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

C80H82N4O — CID 157225514

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole (PubChem CID 157225514) has the molecular formula C80H82N4O and a molecular weight of 1115.56 g/mol. Its IUPAC name is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole.

Molecular Properties

• Compound Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
• PubChem CID: 157225514
• Molecular Formula: C80H82N4O
• Molecular Weight: 1115.56 g/mol
• Exact Mass: 1114.65
• IUPAC Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c1)CN2c1cc(-c2ccccc2)cc(C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C80H82N4O/c1-52(2)67-31-24-32-68(53(3)4)76(67)55-33-37-72-74(43-55)83(51-82(72)63-42-56(54-25-18-15-19-26-54)41-61(44-63)79(11,12)57-27-20-16-21-28-57)64-45-62(80(13,14)58-29-22-17-23-30-58)46-66(49-64)85-65-35-36-69-70-47-59(77(5,6)7)34-38-71(70)84(73(69)50-65)75-48-60(39-40-81-75)78(8,9)10/h15-50,52-53H,51H2,1-14H3
• InChIKey: UXWWZQFTVUELMH-UHFFFAOYSA-N
• XLogP: 22.05
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1115.56
LogP ≤ 5	22.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole (CID 157225514) is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole.

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

The canonical SMILES for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole is CC(C)c1cccc(C(C)C)c1-c1ccc2c(c1)N(c1cc(Oc3ccc4c5cc(C(C)(C)C)ccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c1)CN2c1cc(-c2ccccc2)cc(C(C)(C)c2ccccc2)c1.

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

The InChIKey is UXWWZQFTVUELMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H82N4O/c1-52(2)67-31-24-32-68(53(3)4)76(67)55-33-37-72-74(43-55)83(51-82(72)63-42-56(54-25-18-15-19-26-54)41-61(44-63)79(11,12)57-27-20-16-21-28-57)64-45-62(80(13,14)58-29-22-17-23-30-58)46-66(49-64)85-65-35-36-69-70-47-59(77(5,6)7)34-38-71(70)84(73(69)50-65)75-48-60(39-40-81-75)78(8,9)10/h15-50,52-53H,51H2,1-14H3.

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole has a molecular weight of 1115.56 g/mol, XLogP of 22.05, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[6-[2,6-di(propan-2-yl)phenyl]-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]carbazole is sourced from PubChem (CID 157225514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).