2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

C50H36N3O2Pt- — CID 162783080

About 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 162783080) has the molecular formula C50H36N3O2Pt- and a molecular weight of 905.94 g/mol. Its IUPAC name is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162783080
• Molecular Formula: C50H36N3O2Pt-
• Molecular Weight: 905.94 g/mol
• Exact Mass: 905.25
• IUPAC Name: 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5nccc6c5oc5ccc7ccccc7c56)ccc4)cccc32)c(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C50H36N3O2.Pt/c1-50(2,3)35-24-25-41(40(30-35)31-13-5-4-6-14-31)53-42-21-12-20-37(47(42)52-49(53)38-19-9-10-22-43(38)54)33-16-11-17-34(29-33)46-48-39(27-28-51-46)45-36-18-8-7-15-32(36)23-26-44(45)55-48;/h4-28,30,54H,1-3H3;/q-1
• InChIKey: KZZHWSSLTFYZPY-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.94
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 162783080) is 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5nccc6c5oc5ccc7ccccc7c56)ccc4)cccc32)c(-c2ccccc2)c1.[Pt].

What is the InChIKey of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

The InChIKey is KZZHWSSLTFYZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N3O2.Pt/c1-50(2,3)35-24-25-41(40(30-35)31-13-5-4-6-14-31)53-42-21-12-20-37(47(42)52-49(53)38-19-9-10-22-43(38)54)33-16-11-17-34(29-33)46-48-39(27-28-51-46)45-36-18-8-7-15-32(36)23-26-44(45)55-48;/h4-28,30,54H,1-3H3;/q-1;.

What are the key properties of 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum?

2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 905.94 g/mol, XLogP of 12.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(11-oxa-14-azatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12(17),13,15-octaen-13-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162783080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).