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

C76H74N4O — CID 160699173

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

2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 160699173) has the molecular formula C76H74N4O and a molecular weight of 1059.46 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 160699173
• Molecular Formula: C76H74N4O
• Molecular Weight: 1059.46 g/mol
• Exact Mass: 1058.59
• IUPAC Name: 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3c2)cc(N2CN(c3cc(-c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)ccc32)c1
• InChI: InChI=1S/C76H74N4O/c1-50(2)64-31-23-32-65(51(3)4)73(64)54-42-61(47-63(43-54)81-62-35-36-67-66-30-21-22-33-68(66)80(70(67)48-62)72-46-58(38-39-77-72)75(8,9)55-26-17-13-18-27-55)78-49-79(71-45-57(74(5,6)7)34-37-69(71)78)60-41-53(52-24-15-12-16-25-52)40-59(44-60)76(10,11)56-28-19-14-20-29-56/h12-48,50-51H,49H2,1-11H3
• InChIKey: YYGUSLHJZODLCX-UHFFFAOYSA-N
• XLogP: 20.75
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1059.46
LogP ≤ 5	20.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 160699173) is 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2ccc3c4ccccc4n(-c4cc(C(C)(C)c5ccccc5)ccn4)c3c2)cc(N2CN(c3cc(-c4ccccc4)cc(C(C)(C)c4ccccc4)c3)c3cc(C(C)(C)C)ccc32)c1.

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

The InChIKey is YYGUSLHJZODLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H74N4O/c1-50(2)64-31-23-32-65(51(3)4)73(64)54-42-61(47-63(43-54)81-62-35-36-67-66-30-21-22-33-68(66)80(70(67)48-62)72-46-58(38-39-77-72)75(8,9)55-26-17-13-18-27-55)78-49-79(71-45-57(74(5,6)7)34-37-69(71)78)60-41-53(52-24-15-12-16-25-52)40-59(44-60)76(10,11)56-28-19-14-20-29-56/h12-48,50-51H,49H2,1-11H3.

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

2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 1059.46 g/mol, XLogP of 20.75, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]-5-[2,6-di(propan-2-yl)phenyl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 160699173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).