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

C164H120N9O6Pt3-3 — CID 163664643

IUPAC2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6oc7cc8ccccc8cc7c6cn5)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(c1ccccc1)c1cc(-c2cc3oc4cc5ccccc5cc4c3cn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccccc2-c2ccccc2)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5oc6cc7ccccc7cc6c5cn4)cc(-c4ccccc4)c3)cccc2n1-c1ccccc1-c1ccccc1.[Pt].[Pt].[Pt]
InChIInChI=1S/C57H50N3O2.C55H38N3O2.C52H32N3O2.3Pt/c1-55(2,3)40-31-45(53(61)47(32-40)56(4,5)6)54-59-52-43(24-17-25-49(52)60(54)42-22-13-10-14-23-42)37-26-38(28-41(27-37)57(7,8)39-20-11-9-12-21-39)48-33-51-46(34-58-48)44-29-35-18-15-16-19-36(35)30-50(44)62-51;1-55(2,40-20-7-4-8-21-40)41-29-38(28-39(30-41)47-33-52-46(34-56-47)45-31-36-18-9-10-19-37(36)32-51(45)60-52)43-24-15-26-49-53(43)57-54(44-23-12-14-27-50(44)59)58(49)48-25-13-11-22-42(48)35-16-5-3-6-17-35;56-48-25-12-10-21-42(48)52-54-51-41(22-13-24-47(51)55(52)46-23-11-9-20-40(46)34-16-5-2-6-17-34)38-26-37(33-14-3-1-4-15-33)27-39(28-38)45-31-50-44(32-53-45)43-29-35-18-7-8-19-36(35)30-49(43)57-50;;;/h9-25,27-34,61H,1-8H3;3-27,29-34,59H,1-2H3;1-27,29-32,56H;;;/q3*-1;;;
InChIKeyGXXNSDIDLSDPPP-UHFFFAOYSA-N
MW2898.05 g/mol
LogP42.18
Rot. Bonds19

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

2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (PubChem CID 163664643) has the molecular formula C164H120N9O6Pt3-3 and a molecular weight of 2898.05 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
PubChem CID163664643
Molecular FormulaC164H120N9O6Pt3-3
Molecular Weight2898.05 g/mol
Exact Mass2895.83
IUPAC Name2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6oc7cc8ccccc8cc7c6cn5)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(c1ccccc1)c1cc(-c2cc3oc4cc5ccccc5cc4c3cn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccccc2-c2ccccc2)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5oc6cc7ccccc7cc6c5cn4)cc(-c4ccccc4)c3)cccc2n1-c1ccccc1-c1ccccc1.[Pt].[Pt].[Pt]
InChIInChI=1S/C57H50N3O2.C55H38N3O2.C52H32N3O2.3Pt/c1-55(2,3)40-31-45(53(61)47(32-40)56(4,5)6)54-59-52-43(24-17-25-49(52)60(54)42-22-13-10-14-23-42)37-26-38(28-41(27-37)57(7,8)39-20-11-9-12-21-39)48-33-51-46(34-58-48)44-29-35-18-15-16-19-36(35)30-50(44)62-51;1-55(2,40-20-7-4-8-21-40)41-29-38(28-39(30-41)47-33-52-46(34-56-47)45-31-36-18-9-10-19-37(36)32-51(45)60-52)43-24-15-26-49-53(43)57-54(44-23-12-14-27-50(44)59)58(49)48-25-13-11-22-42(48)35-16-5-3-6-17-35;56-48-25-12-10-21-42(48)52-54-51-41(22-13-24-47(51)55(52)46-23-11-9-20-40(46)34-16-5-2-6-17-34)38-26-37(33-14-3-1-4-15-33)27-39(28-38)45-31-50-44(32-53-45)43-29-35-18-7-8-19-36(35)30-49(43)57-50;;;/h9-25,27-34,61H,1-8H3;3-27,29-34,59H,1-2H3;1-27,29-32,56H;;;/q3*-1;;;
InChIKeyGXXNSDIDLSDPPP-UHFFFAOYSA-N
XLogP42.18
TPSA192.24 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds19
Heavy Atoms182
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002898.05
LogP ≤ 542.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-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-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum (CID 163664643) is 2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-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-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-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-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-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(-c2nc3c(-c4[c-]c(-c5cc6oc7cc8ccccc8cc7c6cn5)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(c1ccccc1)c1cc(-c2cc3oc4cc5ccccc5cc4c3cn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccccc2-c2ccccc2)c1.Oc1ccccc1-c1nc2c(-c3[c-]c(-c4cc5oc6cc7ccccc7cc6c5cn4)cc(-c4ccccc4)c3)cccc2n1-c1ccccc1-c1ccccc1.[Pt].[Pt].[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is GXXNSDIDLSDPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N3O2.C55H38N3O2.C52H32N3O2.3Pt/c1-55(2,3)40-31-45(53(61)47(32-40)56(4,5)6)54-59-52-43(24-17-25-49(52)60(54)42-22-13-10-14-23-42)37-26-38(28-41(27-37)57(7,8)39-20-11-9-12-21-39)48-33-51-46(34-58-48)44-29-35-18-15-16-19-36(35)30-50(44)62-51;1-55(2,40-20-7-4-8-21-40)41-29-38(28-39(30-41)47-33-52-46(34-56-47)45-31-36-18-9-10-19-37(36)32-51(45)60-52)43-24-15-26-49-53(43)57-54(44-23-12-14-27-50(44)59)58(49)48-25-13-11-22-42(48)35-16-5-3-6-17-35;56-48-25-12-10-21-42(48)52-54-51-41(22-13-24-47(51)55(52)46-23-11-9-20-40(46)34-16-5-2-6-17-34)38-26-37(33-14-3-1-4-15-33)27-39(28-38)45-31-50-44(32-53-45)43-29-35-18-7-8-19-36(35)30-49(43)57-50;;;/h9-25,27-34,61H,1-8H3;3-27,29-34,59H,1-2H3;1-27,29-32,56H;;;/q3*-1;;;.
What are the key properties of 2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-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 2898.05 g/mol, XLogP of 42.18, 19 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-14-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-(17-oxa-13-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11,13,15-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 163664643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).