2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum

C46H46N3OPt- — CID 177110175

About 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum

2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum (PubChem CID 177110175) has the molecular formula C46H46N3OPt- and a molecular weight of 851.97 g/mol. Its IUPAC name is 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum
• PubChem CID: 177110175
• Molecular Formula: C46H46N3OPt-
• Molecular Weight: 851.97 g/mol
• Exact Mass: 851.33
• IUPAC Name: 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum
• SMILES: Cc1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(C(C)(C)C)cc6c(C(C)C)ccnc56)ccc4)cccc3n2-c2ccc(C(C)(C)C)cc2)c1.[Pt]
• InChI: InChI=1S/C46H46N3O.Pt/c1-28(2)35-22-23-47-42-37(26-33(27-38(35)42)46(7,8)9)31-13-10-12-30(25-31)36-14-11-15-40-43(36)48-44(39-24-29(3)16-21-41(39)50)49(40)34-19-17-32(18-20-34)45(4,5)6;/h10-24,26-28,50H,1-9H3;/q-1
• InChIKey: HPJNDRMKJSNUSO-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.97
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum?

The IUPAC name of 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum (CID 177110175) is 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum.

What is the SMILES notation for 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum?

The canonical SMILES for 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum is Cc1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(C(C)(C)C)cc6c(C(C)C)ccnc56)ccc4)cccc3n2-c2ccc(C(C)(C)C)cc2)c1.[Pt].

What is the InChIKey of 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum?

The InChIKey is HPJNDRMKJSNUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N3O.Pt/c1-28(2)35-22-23-47-42-37(26-33(27-38(35)42)46(7,8)9)31-13-10-12-30(25-31)36-14-11-15-40-43(36)48-44(39-24-29(3)16-21-41(39)50)49(40)34-19-17-32(18-20-34)45(4,5)6;/h10-24,26-28,50H,1-9H3;/q-1;.

What are the key properties of 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum?

2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum has a molecular weight of 851.97 g/mol, XLogP of 12.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butylphenyl)-4-[3-(6-tert-butyl-4-propan-2-ylquinolin-8-yl)benzene-2-id-1-yl]benzimidazol-2-yl]-4-methylphenol;platinum is sourced from PubChem (CID 177110175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).