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

C74H78N4 — CID 162141528

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

2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 162141528) has the molecular formula C74H78N4 and a molecular weight of 1023.47 g/mol. Its IUPAC name is 2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 162141528
• Molecular Formula: C74H78N4
• Molecular Weight: 1023.47 g/mol
• Exact Mass: 1022.62
• IUPAC Name: 2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)c1cc(N2CN(c3cc(C(C)(C)C)cc(C(C)(C)c4ccc5c6cc(C(C)(c7ccccc7)c7ccccc7)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C74H78N4/c1-69(2,3)56-40-57(70(4,5)6)43-60(42-56)76-49-77(66-33-25-24-32-65(66)76)61-44-58(71(7,8)9)41-59(45-61)73(12,13)53-34-36-62-63-46-55(74(14,51-28-20-16-21-29-51)52-30-22-17-23-31-52)35-37-64(63)78(67(62)47-53)68-48-54(38-39-75-68)72(10,11)50-26-18-15-19-27-50/h15-48H,49H2,1-14H3
• InChIKey: GHRHKVVIRGPZHQ-UHFFFAOYSA-N
• XLogP: 19.32
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1023.47
LogP ≤ 5	19.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 162141528) is 2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cc(N2CN(c3cc(C(C)(C)C)cc(C(C)(C)c4ccc5c6cc(C(C)(c7ccccc7)c7ccccc7)ccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1.

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

The InChIKey is GHRHKVVIRGPZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H78N4/c1-69(2,3)56-40-57(70(4,5)6)43-60(42-56)76-49-77(66-33-25-24-32-65(66)76)61-44-58(71(7,8)9)41-59(45-61)73(12,13)53-34-36-62-63-46-55(74(14,51-28-20-16-21-29-51)52-30-22-17-23-31-52)35-37-64(63)78(67(62)47-53)68-48-54(38-39-75-68)72(10,11)50-26-18-15-19-27-50/h15-48H,49H2,1-14H3.

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

2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 1023.47 g/mol, XLogP of 19.32, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-tert-butyl-5-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]propan-2-yl]-6-(1,1-diphenylethyl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 162141528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).