2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole

C61H66N4 — CID 155651796

About 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole

2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole (PubChem CID 155651796) has the molecular formula C61H66N4 and a molecular weight of 855.23 g/mol. Its IUPAC name is 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
• PubChem CID: 155651796
• Molecular Formula: C61H66N4
• Molecular Weight: 855.23 g/mol
• Exact Mass: 854.53
• IUPAC Name: 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole
• SMILES: CC(C)(C)C1=CN(c2cc(C(C)(C)C)cc(C(c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)CN1c1ccc(C(C)(C)C)cc1
• InChI: InChI=1S/C61H66N4/c1-57(2,3)42-27-30-49(31-28-42)64-41-63(40-55(64)60(10,11)12)50-36-47(59(7,8)9)35-48(37-50)61(43-21-15-13-16-22-43,44-23-17-14-18-24-44)46-29-32-52-51-25-19-20-26-53(51)65(54(52)38-46)56-39-45(33-34-62-56)58(4,5)6/h13-40H,41H2,1-12H3
• InChIKey: YFLXIXKKQCBKEB-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.23
LogP ≤ 5	15.63
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-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole (CID 155651796) is 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole is CC(C)(C)C1=CN(c2cc(C(C)(C)C)cc(C(c3ccccc3)(c3ccccc3)c3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)CN1c1ccc(C(C)(C)C)cc1.

What is the InChIKey of 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole?

The InChIKey is YFLXIXKKQCBKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H66N4/c1-57(2,3)42-27-30-49(31-28-42)64-41-63(40-55(64)60(10,11)12)50-36-47(59(7,8)9)35-48(37-50)61(43-21-15-13-16-22-43,44-23-17-14-18-24-44)46-29-32-52-51-25-19-20-26-53(51)65(54(52)38-46)56-39-45(33-34-62-56)58(4,5)6/h13-40H,41H2,1-12H3.

What are the key properties of 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole?

2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole has a molecular weight of 855.23 g/mol, XLogP of 15.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-tert-butyl-5-[4-tert-butyl-3-(4-tert-butylphenyl)-2H-imidazol-1-yl]phenyl]-diphenylmethyl]-9-(4-tert-butyl-2-pyridinyl)carbazole is sourced from PubChem (CID 155651796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).