2-[1-(2-tert-butyl-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

C64H56N3OPt- — CID 153480379

About 2-[1-(2-tert-butyl-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-(2-tert-butyl-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 153480379) has the molecular formula C64H56N3OPt- and a molecular weight of 1078.25 g/mol. Its IUPAC name is 2-[1-(2-tert-butyl-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-(2-tert-butyl-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: 153480379
• Molecular Formula: C64H56N3OPt-
• Molecular Weight: 1078.25 g/mol
• Exact Mass: 1077.41
• IUPAC Name: 2-[1-(2-tert-butyl-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: CC(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c(O)c(C(C)C)c1.[Pt]
• InChI: InChI=1S/C64H56N3O.Pt/c1-41(2)50-37-55(42(3)4)62(68)56(38-50)63-66-61-54(24-17-25-60(61)67(63)59-31-30-48(39-57(59)64(5,6)7)44-20-13-9-14-21-44)52-34-51(45-22-15-10-16-23-45)35-53(36-52)58-40-49(32-33-65-58)47-28-26-46(27-29-47)43-18-11-8-12-19-43;/h8-35,37-42,68H,1-7H3;/q-1
• InChIKey: TXPKLCYGBDUOIR-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1078.25
LogP ≤ 5	17.14
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-(2-tert-butyl-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-(2-tert-butyl-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 153480379) is 2-[1-(2-tert-butyl-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-(2-tert-butyl-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-(2-tert-butyl-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 CC(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccc(-c7ccccc7)cc6)ccn5)cc(-c5ccccc5)c4)cccc3n2-c2ccc(-c3ccccc3)cc2C(C)(C)C)c(O)c(C(C)C)c1.[Pt].

What is the InChIKey of 2-[1-(2-tert-butyl-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 TXPKLCYGBDUOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H56N3O.Pt/c1-41(2)50-37-55(42(3)4)62(68)56(38-50)63-66-61-54(24-17-25-60(61)67(63)59-31-30-48(39-57(59)64(5,6)7)44-20-13-9-14-21-44)52-34-51(45-22-15-10-16-23-45)35-53(36-52)58-40-49(32-33-65-58)47-28-26-46(27-29-47)43-18-11-8-12-19-43;/h8-35,37-42,68H,1-7H3;/q-1;.

What are the key properties of 2-[1-(2-tert-butyl-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-(2-tert-butyl-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 1078.25 g/mol, XLogP of 17.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-tert-butyl-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 153480379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).