2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

C62H52N3OPt- — CID 176722944

About 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum

2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (PubChem CID 176722944) has the molecular formula C62H52N3OPt- and a molecular weight of 1050.20 g/mol. Its IUPAC name is 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• PubChem CID: 176722944
• Molecular Formula: C62H52N3OPt-
• Molecular Weight: 1050.20 g/mol
• Exact Mass: 1049.38
• IUPAC Name: 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum
• SMILES: CCc1cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)ccc1-c1ccccc1.[Pt]
• InChI: InChI=1S/C62H52N3O.Pt/c1-6-42-36-53(29-30-54(42)47-21-14-9-15-22-47)65-59-24-16-23-55(60(59)64-62(65)57-38-49(40(2)3)37-56(41(4)5)61(57)66)51-33-50(44-19-12-8-13-20-44)34-52(35-51)58-39-48(31-32-63-58)46-27-25-45(26-28-46)43-17-10-7-11-18-43;/h7-34,36-41,66H,6H2,1-5H3;/q-1
• InChIKey: OQJDVJNPJHCSPF-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1050.20
LogP ≤ 5	16.40
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-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The IUPAC name of 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum (CID 176722944) is 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum.

What is the SMILES notation for 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The canonical SMILES for 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is CCc1cc(-n2c(-c3cc(C(C)C)cc(C(C)C)c3O)nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc32)ccc1-c1ccccc1.[Pt].

What is the InChIKey of 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

The InChIKey is OQJDVJNPJHCSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H52N3O.Pt/c1-6-42-36-53(29-30-54(42)47-21-14-9-15-22-47)65-59-24-16-23-55(60(59)64-62(65)57-38-49(40(2)3)37-56(41(4)5)61(57)66)51-33-50(44-19-12-8-13-20-44)34-52(35-51)58-39-48(31-32-63-58)46-27-25-45(26-28-46)43-17-10-7-11-18-43;/h7-34,36-41,66H,6H2,1-5H3;/q-1;.

What are the key properties of 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum?

2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum has a molecular weight of 1050.20 g/mol, XLogP of 16.40, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3-ethyl-4-phenylphenyl)-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]-4,6-di(propan-2-yl)phenol;platinum is sourced from PubChem (CID 176722944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).