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

C65H60N4 — CID 169055773

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

2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole (PubChem CID 169055773) has the molecular formula C65H60N4 and a molecular weight of 897.22 g/mol. Its IUPAC name is 2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
• PubChem CID: 169055773
• Molecular Formula: C65H60N4
• Molecular Weight: 897.22 g/mol
• Exact Mass: 896.48
• IUPAC Name: 2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc(C(c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6cccc(C(C)(C)C)c6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C65H60N4/c1-44(2)54-30-20-31-55(45(3)4)63(54)46-37-38-66-62(39-46)69-58-32-15-14-29-56(58)57-36-35-51(42-61(57)69)65(47-21-10-8-11-22-47,48-23-12-9-13-24-48)50-26-19-28-53(41-50)68-43-67(59-33-16-17-34-60(59)68)52-27-18-25-49(40-52)64(5,6)7/h8-42,44-45H,43H2,1-7H3
• InChIKey: DMTGYCSNOBJWOP-UHFFFAOYSA-N
• XLogP: 17.02
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	897.22
LogP ≤ 5	17.02
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-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole?

The IUPAC name of 2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole (CID 169055773) is 2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole is CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3ccccc3c3ccc(C(c4ccccc4)(c4ccccc4)c4cccc(N5CN(c6cccc(C(C)(C)C)c6)c6ccccc65)c4)cc32)c1.

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

The InChIKey is DMTGYCSNOBJWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H60N4/c1-44(2)54-30-20-31-55(45(3)4)63(54)46-37-38-66-62(39-46)69-58-32-15-14-29-56(58)57-36-35-51(42-61(57)69)65(47-21-10-8-11-22-47,48-23-12-9-13-24-48)50-26-19-28-53(41-50)68-43-67(59-33-16-17-34-60(59)68)52-27-18-25-49(40-52)64(5,6)7/h8-42,44-45H,43H2,1-7H3.

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

2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole has a molecular weight of 897.22 g/mol, XLogP of 17.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-1-yl]phenyl]-diphenylmethyl]-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]carbazole is sourced from PubChem (CID 169055773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).