2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum

C30H22N3OPt- — CID 177110757

About 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum

2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum (PubChem CID 177110757) has the molecular formula C30H22N3OPt- and a molecular weight of 635.60 g/mol. Its IUPAC name is 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum
• PubChem CID: 177110757
• Molecular Formula: C30H22N3OPt-
• Molecular Weight: 635.60 g/mol
• Exact Mass: 635.14
• IUPAC Name: 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum
• SMILES: CCc1cc(-c2[c-]c(-c3cccc4[nH]c(-c5ccccc5O)nc34)ccc2)c2ncccc2c1.[Pt]
• InChI: InChI=1S/C30H22N3O.Pt/c1-2-19-16-22-10-7-15-31-28(22)25(17-19)21-9-5-8-20(18-21)23-12-6-13-26-29(23)33-30(32-26)24-11-3-4-14-27(24)34;/h3-17,34H,2H2,1H3,(H,32,33);/q-1
• InChIKey: QYFCKIJJTNJKAC-UHFFFAOYSA-N
• XLogP: 7.18
• TPSA: 61.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.60
LogP ≤ 5	7.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum (CID 177110757) is 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum is CCc1cc(-c2[c-]c(-c3cccc4[nH]c(-c5ccccc5O)nc34)ccc2)c2ncccc2c1.[Pt].

What is the InChIKey of 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum?

The InChIKey is QYFCKIJJTNJKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N3O.Pt/c1-2-19-16-22-10-7-15-31-28(22)25(17-19)21-9-5-8-20(18-21)23-12-6-13-26-29(23)33-30(32-26)24-11-3-4-14-27(24)34;/h3-17,34H,2H2,1H3,(H,32,33);/q-1;.

What are the key properties of 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum?

2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum has a molecular weight of 635.60 g/mol, XLogP of 7.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-(6-ethylquinolin-8-yl)benzene-2-id-1-yl]-1H-benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 177110757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).