4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum

C130H96N16O4Pt4-4 — CID 158686101

IUPAC4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum
SMILESCn1c(-c2cccnc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(-c4ccccc4)c3)cccc21.Cn1c(-c2cccnc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)ccc3)cccc21.Cn1c(-c2ccncc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C(C)(C)C)c3)cccc21.Cn1c(-c2ccncc2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C42H29N4O.C36H25N4O.C28H25N4O.C24H17N4O.4Pt/c1-46-39-16-8-14-36(40(39)45-41(46)37-15-9-22-44-42(37)47)34-24-33(29-12-6-3-7-13-29)25-35(26-34)38-27-32(21-23-43-38)31-19-17-30(18-20-31)28-10-4-2-5-11-28;1-40-33-14-6-12-30(34(33)39-35(40)31-13-7-20-38-36(31)41)28-10-5-11-29(22-28)32-23-27(19-21-37-32)26-17-15-25(16-18-26)24-8-3-2-4-9-24;1-28(2,3)20-15-18(14-19(16-20)23-9-5-6-12-30-23)21-8-7-10-24-26(21)31-27(32(24)4)22-11-13-29-17-25(22)33;1-28-21-10-5-8-18(23(21)27-24(28)19-11-13-25-15-22(19)29)16-6-4-7-17(14-16)20-9-2-3-12-26-20;;;;/h2-25,27H,1H3,(H,44,47);2-21,23H,1H3,(H,38,41);5-13,15-17,33H,1-4H3;2-13,15,29H,1H3;;;;/q4*-1;;;;
InChIKeyPGDTYYFTJHEYQD-UHFFFAOYSA-N
MW2726.62 g/mol
LogP29.10
Rot. Bonds17

About 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum

4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum (PubChem CID 158686101) has the molecular formula C130H96N16O4Pt4-4 and a molecular weight of 2726.62 g/mol. Its IUPAC name is 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum.

Molecular Properties

Compound Name4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum
PubChem CID158686101
Molecular FormulaC130H96N16O4Pt4-4
Molecular Weight2726.62 g/mol
Exact Mass2724.64
IUPAC Name4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum
SMILESCn1c(-c2cccnc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(-c4ccccc4)c3)cccc21.Cn1c(-c2cccnc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)ccc3)cccc21.Cn1c(-c2ccncc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C(C)(C)C)c3)cccc21.Cn1c(-c2ccncc2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C42H29N4O.C36H25N4O.C28H25N4O.C24H17N4O.4Pt/c1-46-39-16-8-14-36(40(39)45-41(46)37-15-9-22-44-42(37)47)34-24-33(29-12-6-3-7-13-29)25-35(26-34)38-27-32(21-23-43-38)31-19-17-30(18-20-31)28-10-4-2-5-11-28;1-40-33-14-6-12-30(34(33)39-35(40)31-13-7-20-38-36(31)41)28-10-5-11-29(22-28)32-23-27(19-21-37-32)26-17-15-25(16-18-26)24-8-3-2-4-9-24;1-28(2,3)20-15-18(14-19(16-20)23-9-5-6-12-30-23)21-8-7-10-24-26(21)31-27(32(24)4)22-11-13-29-17-25(22)33;1-28-21-10-5-8-18(23(21)27-24(28)19-11-13-25-15-22(19)29)16-6-4-7-17(14-16)20-9-2-3-12-26-20;;;;/h2-25,27H,1H3,(H,44,47);2-21,23H,1H3,(H,38,41);5-13,15-17,33H,1-4H3;2-13,15,29H,1H3;;;;/q4*-1;;;;
InChIKeyPGDTYYFTJHEYQD-UHFFFAOYSA-N
XLogP29.10
TPSA255.32 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds17
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002726.62
LogP ≤ 529.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum?
The IUPAC name of 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum (CID 158686101) is 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum.
What is the SMILES notation for 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum?
The canonical SMILES for 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum is Cn1c(-c2cccnc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)cc(-c4ccccc4)c3)cccc21.Cn1c(-c2cccnc2O)nc2c(-c3[c-]c(-c4cc(-c5ccc(-c6ccccc6)cc5)ccn4)ccc3)cccc21.Cn1c(-c2ccncc2O)nc2c(-c3[c-]c(-c4ccccn4)cc(C(C)(C)C)c3)cccc21.Cn1c(-c2ccncc2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum?
The InChIKey is PGDTYYFTJHEYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H29N4O.C36H25N4O.C28H25N4O.C24H17N4O.4Pt/c1-46-39-16-8-14-36(40(39)45-41(46)37-15-9-22-44-42(37)47)34-24-33(29-12-6-3-7-13-29)25-35(26-34)38-27-32(21-23-43-38)31-19-17-30(18-20-31)28-10-4-2-5-11-28;1-40-33-14-6-12-30(34(33)39-35(40)31-13-7-20-38-36(31)41)28-10-5-11-29(22-28)32-23-27(19-21-37-32)26-17-15-25(16-18-26)24-8-3-2-4-9-24;1-28(2,3)20-15-18(14-19(16-20)23-9-5-6-12-30-23)21-8-7-10-24-26(21)31-27(32(24)4)22-11-13-29-17-25(22)33;1-28-21-10-5-8-18(23(21)27-24(28)19-11-13-25-15-22(19)29)16-6-4-7-17(14-16)20-9-2-3-12-26-20;;;;/h2-25,27H,1H3,(H,44,47);2-21,23H,1H3,(H,38,41);5-13,15-17,33H,1-4H3;2-13,15,29H,1H3;;;;/q4*-1;;;;.
What are the key properties of 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum?
4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum has a molecular weight of 2726.62 g/mol, XLogP of 29.10, 17 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-methylbenzimidazol-2-yl]pyridin-3-ol;3-[1-methyl-4-[3-phenyl-5-[4-(4-phenylphenyl)-2-pyridinyl]benzene-6-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;3-[1-methyl-4-[3-[4-(4-phenylphenyl)-2-pyridinyl]benzene-2-id-1-yl]benzimidazol-2-yl]pyridin-2-ol;4-[1-methyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]pyridin-3-ol;platinum is sourced from PubChem (CID 158686101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).