[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium

C51H48N5+ — CID 155651850

About [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium

[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium (PubChem CID 155651850) has the molecular formula C51H48N5+ and a molecular weight of 730.98 g/mol. Its IUPAC name is [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium.

Molecular Properties

• Compound Name: [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium
• PubChem CID: 155651850
• Molecular Formula: C51H48N5+
• Molecular Weight: 730.98 g/mol
• Exact Mass: 730.39
• IUPAC Name: [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium
• SMILES: Cc1cc(C)c(N2C=CN(c3cccc([N+](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C2)cc1C
• InChI: InChI=1S/C51H48N5/c1-36-30-38(3)48(31-37(36)2)54-29-28-53(35-54)40-16-15-21-43(33-40)56(41-17-9-7-10-18-41,42-19-11-8-12-20-42)44-24-25-46-45-22-13-14-23-47(45)55(49(46)34-44)50-32-39(26-27-52-50)51(4,5)6/h7-34H,35H2,1-6H3/q+1
• InChIKey: ZEWSOLZDKOXIID-UHFFFAOYSA-N
• XLogP: 13.46
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.98
LogP ≤ 5	13.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium?

The IUPAC name of [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium (CID 155651850) is [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium.

What is the SMILES notation for [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium?

The canonical SMILES for [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium is Cc1cc(C)c(N2C=CN(c3cccc([N+](c4ccccc4)(c4ccccc4)c4ccc5c6ccccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)C2)cc1C.

What is the InChIKey of [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium?

The InChIKey is ZEWSOLZDKOXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H48N5/c1-36-30-38(3)48(31-37(36)2)54-29-28-53(35-54)40-16-15-21-43(33-40)56(41-17-9-7-10-18-41,42-19-11-8-12-20-42)44-24-25-46-45-22-13-14-23-47(45)55(49(46)34-44)50-32-39(26-27-52-50)51(4,5)6/h7-34H,35H2,1-6H3/q+1.

What are the key properties of [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium?

[9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium has a molecular weight of 730.98 g/mol, XLogP of 13.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]-diphenyl-[3-[3-(2,4,5-trimethylphenyl)-2H-imidazol-1-yl]phenyl]azanium is sourced from PubChem (CID 155651850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).