2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C63H54N3O2Pt- — CID 162782871

About 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 162782871) has the molecular formula C63H54N3O2Pt- and a molecular weight of 1080.22 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 162782871
• Molecular Formula: C63H54N3O2Pt-
• Molecular Weight: 1080.22 g/mol
• Exact Mass: 1079.39
• IUPAC Name: 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6c(cn5)oc5cc7ccccc7cc56)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C63H54N3O2.Pt/c1-61(2,3)45-35-51(59(67)52(36-45)62(4,5)6)60-65-58-48(27-19-29-55(58)66(60)54-28-18-17-26-47(54)39-20-11-9-12-21-39)42-30-43(32-46(31-42)63(7,8)44-24-13-10-14-25-44)53-37-50-49-33-40-22-15-16-23-41(40)34-56(49)68-57(50)38-64-53;/h9-29,31-38,67H,1-8H3;/q-1
• InChIKey: TVJVRARMFUXYJR-UHFFFAOYSA-N
• XLogP: 16.57
• TPSA: 64.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1080.22
LogP ≤ 5	16.57
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 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The IUPAC name of 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 162782871) is 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

What is the SMILES notation for 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The canonical SMILES for 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6c(cn5)oc5cc7ccccc7cc56)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is TVJVRARMFUXYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N3O2.Pt/c1-61(2,3)45-35-51(59(67)52(36-45)62(4,5)6)60-65-58-48(27-19-29-55(58)66(60)54-28-18-17-26-47(54)39-20-11-9-12-21-39)42-30-43(32-46(31-42)63(7,8)44-24-13-10-14-25-44)53-37-50-49-33-40-22-15-16-23-41(40)34-56(49)68-57(50)38-64-53;/h9-29,31-38,67H,1-8H3;/q-1;.

What are the key properties of 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 1080.22 g/mol, XLogP of 16.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[4-[3-(17-oxa-14-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-13-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 162782871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).