6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum

C194H160N16O4Pt4-4 — CID 161459679

IUPAC6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)c(C#N)cn2)[c-]c(-c2cccc3c2nc(-c2cccc(C(C)(C)C)c2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)ccc4)cccc3n2-c2ccccc2)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C57H47N4O.C51H43N4O.C45H39N4O.C41H31N4O.4Pt/c1-56(2,3)44-32-48(54(62)49(33-44)57(4,5)6)55-60-53-46(26-18-28-52(53)61(55)51-27-17-16-25-45(51)38-21-12-8-13-22-38)41-29-40(37-19-10-7-11-20-37)30-42(31-41)50-34-47(43(35-58)36-59-50)39-23-14-9-15-24-39;1-50(2,3)39-28-43(48(56)44(29-39)51(4,5)6)49-54-47-41(23-16-24-46(47)55(49)40-21-14-9-15-22-40)36-25-35(33-17-10-7-11-18-33)26-37(27-36)45-30-42(38(31-52)32-53-45)34-19-12-8-13-20-34;1-44(2,3)33-24-30(23-31(25-33)39-26-37(32(27-46)28-47-39)29-15-9-7-10-16-29)35-19-14-22-40-41(35)48-43(49(40)34-17-11-8-12-18-34)36-20-13-21-38(42(36)50)45(4,5)6;1-41(2,3)31-20-21-38(46)35(23-31)40-44-39-33(18-11-19-37(39)45(40)32-16-8-5-9-17-32)28-14-10-15-29(22-28)36-24-34(30(25-42)26-43-36)27-12-6-4-7-13-27;;;;/h7-30,32-34,36,62H,1-6H3;7-26,28-30,32,56H,1-6H3;7-22,24-26,28,50H,1-6H3;4-21,23-24,26,46H,1-3H3;;;;/q4*-1;;;;
InChIKeyKQPDLWRJTALSJX-UHFFFAOYSA-N
MW3559.83 g/mol
LogP47.94
Rot. Bonds23

About 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum

6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum (PubChem CID 161459679) has the molecular formula C194H160N16O4Pt4-4 and a molecular weight of 3559.83 g/mol. Its IUPAC name is 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum.

Molecular Properties

Compound Name6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum
PubChem CID161459679
Molecular FormulaC194H160N16O4Pt4-4
Molecular Weight3559.83 g/mol
Exact Mass3557.14
IUPAC Name6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum
SMILESCC(C)(C)c1cc(-c2cc(-c3ccccc3)c(C#N)cn2)[c-]c(-c2cccc3c2nc(-c2cccc(C(C)(C)C)c2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)ccc4)cccc3n2-c2ccccc2)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C57H47N4O.C51H43N4O.C45H39N4O.C41H31N4O.4Pt/c1-56(2,3)44-32-48(54(62)49(33-44)57(4,5)6)55-60-53-46(26-18-28-52(53)61(55)51-27-17-16-25-45(51)38-21-12-8-13-22-38)41-29-40(37-19-10-7-11-20-37)30-42(31-41)50-34-47(43(35-58)36-59-50)39-23-14-9-15-24-39;1-50(2,3)39-28-43(48(56)44(29-39)51(4,5)6)49-54-47-41(23-16-24-46(47)55(49)40-21-14-9-15-22-40)36-25-35(33-17-10-7-11-18-33)26-37(27-36)45-30-42(38(31-52)32-53-45)34-19-12-8-13-20-34;1-44(2,3)33-24-30(23-31(25-33)39-26-37(32(27-46)28-47-39)29-15-9-7-10-16-29)35-19-14-22-40-41(35)48-43(49(40)34-17-11-8-12-18-34)36-20-13-21-38(42(36)50)45(4,5)6;1-41(2,3)31-20-21-38(46)35(23-31)40-44-39-33(18-11-19-37(39)45(40)32-16-8-5-9-17-32)28-14-10-15-29(22-28)36-24-34(30(25-42)26-43-36)27-12-6-4-7-13-27;;;;/h7-30,32-34,36,62H,1-6H3;7-26,28-30,32,56H,1-6H3;7-22,24-26,28,50H,1-6H3;4-21,23-24,26,46H,1-3H3;;;;/q4*-1;;;;
InChIKeyKQPDLWRJTALSJX-UHFFFAOYSA-N
XLogP47.94
TPSA298.92 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds23
Heavy Atoms218
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003559.83
LogP ≤ 547.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum?
The IUPAC name of 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum (CID 161459679) is 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum.
What is the SMILES notation for 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum?
The canonical SMILES for 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum is CC(C)(C)c1cc(-c2cc(-c3ccccc3)c(C#N)cn2)[c-]c(-c2cccc3c2nc(-c2cccc(C(C)(C)C)c2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(O)c(-c2nc3c(-c4[c-]c(-c5cc(-c6ccccc6)c(C#N)cn5)ccc4)cccc3n2-c2ccccc2)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum?
The InChIKey is KQPDLWRJTALSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H47N4O.C51H43N4O.C45H39N4O.C41H31N4O.4Pt/c1-56(2,3)44-32-48(54(62)49(33-44)57(4,5)6)55-60-53-46(26-18-28-52(53)61(55)51-27-17-16-25-45(51)38-21-12-8-13-22-38)41-29-40(37-19-10-7-11-20-37)30-42(31-41)50-34-47(43(35-58)36-59-50)39-23-14-9-15-24-39;1-50(2,3)39-28-43(48(56)44(29-39)51(4,5)6)49-54-47-41(23-16-24-46(47)55(49)40-21-14-9-15-22-40)36-25-35(33-17-10-7-11-18-33)26-37(27-36)45-30-42(38(31-52)32-53-45)34-19-12-8-13-20-34;1-44(2,3)33-24-30(23-31(25-33)39-26-37(32(27-46)28-47-39)29-15-9-7-10-16-29)35-19-14-22-40-41(35)48-43(49(40)34-17-11-8-12-18-34)36-20-13-21-38(42(36)50)45(4,5)6;1-41(2,3)31-20-21-38(46)35(23-31)40-44-39-33(18-11-19-37(39)45(40)32-16-8-5-9-17-32)28-14-10-15-29(22-28)36-24-34(30(25-42)26-43-36)27-12-6-4-7-13-27;;;;/h7-30,32-34,36,62H,1-6H3;7-26,28-30,32,56H,1-6H3;7-22,24-26,28,50H,1-6H3;4-21,23-24,26,46H,1-3H3;;;;/q4*-1;;;;.
What are the key properties of 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum?
6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum has a molecular weight of 3559.83 g/mol, XLogP of 47.94, 23 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-tert-butyl-5-[2-(3-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-6-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(5-tert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]benzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-phenylbenzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;6-[3-[2-(3,5-ditert-butyl-2-hydroxyphenyl)-1-(2-phenylphenyl)benzimidazol-4-yl]-5-phenylbenzene-2-id-1-yl]-4-phenylpyridine-3-carbonitrile;platinum is sourced from PubChem (CID 161459679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).