2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

C167H134N9O6Pt3-3 — CID 163735809

About 2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum

2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 163735809) has the molecular formula C167H134N9O6Pt3-3 and a molecular weight of 2948.20 g/mol. Its IUPAC name is 2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-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-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• PubChem CID: 163735809
• Molecular Formula: C167H134N9O6Pt3-3
• Molecular Weight: 2948.20 g/mol
• Exact Mass: 2945.94
• IUPAC Name: 2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
• SMILES: CC(C)(C)c1cc(-c2cc3oc4c5ccccc5ccc4c3cn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6oc7c8ccccc8ccc7c6cn5)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc6oc7c8ccccc8ccc7c6cn5)ccc4)cccc32)c(-c2ccccc2)c1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C63H54N3O2.C54H44N3O2.C50H36N3O2.3Pt/c1-61(2,3)44-35-50(58(67)52(36-44)62(4,5)6)60-65-57-47(27-19-29-55(57)66(60)54-28-18-17-25-46(54)39-20-11-9-12-21-39)41-32-42(34-45(33-41)63(7,8)43-23-13-10-14-24-43)53-37-56-51(38-64-53)49-31-30-40-22-15-16-26-48(40)59(49)68-56;1-53(2,3)37-24-26-46(43(30-37)33-15-8-7-9-16-33)57-47-21-14-20-39(50(47)56-52(57)42-19-12-13-22-48(42)58)35-27-36(29-38(28-35)54(4,5)6)45-31-49-44(32-55-45)41-25-23-34-17-10-11-18-40(34)51(41)59-49;1-50(2,3)35-24-26-43(40(28-35)31-13-5-4-6-14-31)53-44-21-12-20-36(47(44)52-49(53)39-19-9-10-22-45(39)54)33-16-11-17-34(27-33)42-29-46-41(30-51-42)38-25-23-32-15-7-8-18-37(32)48(38)55-46;;;/h9-31,33-38,67H,1-8H3;7-26,28-32,58H,1-6H3;4-26,28-30,54H,1-3H3;;;/q3*-1
• InChIKey: RTAOJXGBYBCIEO-UHFFFAOYSA-N
• XLogP: 43.75
• TPSA: 192.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 17
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2948.20
LogP ≤ 5	43.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

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-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-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-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 163735809) is 2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-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-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-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-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2cc3oc4c5ccccc5ccc4c3cn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccc(C(C)(C)C)cc2-c2ccccc2)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6oc7c8ccccc8ccc7c6cn5)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc6oc7c8ccccc8ccc7c6cn5)ccc4)cccc32)c(-c2ccccc2)c1.[Pt].[Pt].[Pt].

What is the InChIKey of 2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

The InChIKey is RTAOJXGBYBCIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54N3O2.C54H44N3O2.C50H36N3O2.3Pt/c1-61(2,3)44-35-50(58(67)52(36-44)62(4,5)6)60-65-57-47(27-19-29-55(57)66(60)54-28-18-17-25-46(54)39-20-11-9-12-21-39)41-32-42(34-45(33-41)63(7,8)43-23-13-10-14-24-43)53-37-56-51(38-64-53)49-31-30-40-22-15-16-26-48(40)59(49)68-56;1-53(2,3)37-24-26-46(43(30-37)33-15-8-7-9-16-33)57-47-21-14-20-39(50(47)56-52(57)42-19-12-13-22-48(42)58)35-27-36(29-38(28-35)54(4,5)6)45-31-49-44(32-55-45)41-25-23-34-17-10-11-18-40(34)51(41)59-49;1-50(2,3)35-24-26-43(40(28-35)31-13-5-4-6-14-31)53-44-21-12-20-36(47(44)52-49(53)39-19-9-10-22-45(39)54)33-16-11-17-34(27-33)42-29-46-41(30-51-42)38-25-23-32-15-7-8-18-37(32)48(38)55-46;;;/h9-31,33-38,67H,1-8H3;7-26,28-32,58H,1-6H3;4-26,28-30,54H,1-3H3;;;/q3*-1;;;.

What are the key properties of 2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?

2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 2948.20 g/mol, XLogP of 43.75, 17 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-tert-butyl-5-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-6-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)benzene-2-id-1-yl]benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 163735809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).