2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

C95H96N6O2Pt2Si-2 — CID 158141473

IUPAC2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccc([Si](C)(C)C)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt]
InChIInChI=1S/C48H48N3O.C47H48N3OSi.2Pt/c1-46(2,3)35-26-33(23-34(27-35)41-20-15-16-22-49-41)40-28-32(31-24-36(47(4,5)6)30-37(25-31)48(7,8)9)29-42-44(40)50-45(39-19-13-14-21-43(39)52)51(42)38-17-11-10-12-18-38;1-46(2,3)35-28-39(44(51)40(29-35)47(4,5)6)45-49-43-38(21-16-22-42(43)50(45)36-19-14-11-15-20-36)33-25-32(31-17-12-10-13-18-31)26-34(27-33)41-24-23-37(30-48-41)52(7,8)9;;/h10-22,24-30,52H,1-9H3;10-26,28-30,51H,1-9H3;;/q2*-1;;
InChIKeyGRHWXVPUBNCEKN-UHFFFAOYSA-N
MW1772.09 g/mol
LogP24.22
Rot. Bonds11

About 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum

2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (PubChem CID 158141473) has the molecular formula C95H96N6O2Pt2Si-2 and a molecular weight of 1772.09 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
PubChem CID158141473
Molecular FormulaC95H96N6O2Pt2Si-2
Molecular Weight1772.09 g/mol
Exact Mass1770.67
IUPAC Name2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccc([Si](C)(C)C)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt]
InChIInChI=1S/C48H48N3O.C47H48N3OSi.2Pt/c1-46(2,3)35-26-33(23-34(27-35)41-20-15-16-22-49-41)40-28-32(31-24-36(47(4,5)6)30-37(25-31)48(7,8)9)29-42-44(40)50-45(39-19-13-14-21-43(39)52)51(42)38-17-11-10-12-18-38;1-46(2,3)35-28-39(44(51)40(29-35)47(4,5)6)45-49-43-38(21-16-22-42(43)50(45)36-19-14-11-15-20-36)33-25-32(31-17-12-10-13-18-31)26-34(27-33)41-24-23-37(30-48-41)52(7,8)9;;/h10-22,24-30,52H,1-9H3;10-26,28-30,51H,1-9H3;;/q2*-1;;
InChIKeyGRHWXVPUBNCEKN-UHFFFAOYSA-N
XLogP24.22
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms106
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001772.09
LogP ≤ 524.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum (CID 158141473) is 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccc([Si](C)(C)C)cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].
What is the InChIKey of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
The InChIKey is GRHWXVPUBNCEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H48N3O.C47H48N3OSi.2Pt/c1-46(2,3)35-26-33(23-34(27-35)41-20-15-16-22-49-41)40-28-32(31-24-36(47(4,5)6)30-37(25-31)48(7,8)9)29-42-44(40)50-45(39-19-13-14-21-43(39)52)51(42)38-17-11-10-12-18-38;1-46(2,3)35-28-39(44(51)40(29-35)47(4,5)6)45-49-43-38(21-16-22-42(43)50(45)36-19-14-11-15-20-36)33-25-32(31-17-12-10-13-18-31)26-34(27-33)41-24-23-37(30-48-41)52(7,8)9;;/h10-22,24-30,52H,1-9H3;10-26,28-30,51H,1-9H3;;/q2*-1;;.
What are the key properties of 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum?
2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum has a molecular weight of 1772.09 g/mol, XLogP of 24.22, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-6-(3,5-ditert-butylphenyl)-1-phenylbenzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-[3-phenyl-5-(5-trimethylsilyl-2-pyridinyl)benzene-6-id-1-yl]benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 158141473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).