4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum

C186H154N18O4Pt4-4 — CID 158937722

IUPAC4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C49H43N4O.2C44H34N5O.4Pt/c1-48(2,3)37-23-24-44(54)40(31-37)47-52-46-39(35-26-36(41-21-13-14-25-50-41)28-38(27-35)49(4,5)6)20-15-22-43(46)53(47)45-30-34(32-16-9-7-10-17-32)29-42(51-45)33-18-11-8-12-19-33;1-48(2,3)36-23-24-45(54)40(29-36)47-52-46-39(34-26-35(41-21-13-14-25-50-41)28-37(27-34)49(4,5)6)20-15-22-44(46)53(47)38-30-42(32-16-9-7-10-17-32)51-43(31-38)33-18-11-8-12-19-33;1-44(2,3)33-26-31(25-32(27-33)36-21-12-13-24-45-36)34-20-14-22-39-41(34)48-42(35-19-10-11-23-40(35)50)49(39)43-46-37(29-15-6-4-7-16-29)28-38(47-43)30-17-8-5-9-18-30;1-44(2,3)33-26-31(25-32(27-33)36-21-12-13-24-45-36)34-20-14-22-38-41(34)48-43(35-19-10-11-23-39(35)50)49(38)40-28-37(29-15-6-4-7-16-29)46-42(47-40)30-17-8-5-9-18-30;;;;/h2*7-25,27-31,54H,1-6H3;2*4-24,26-28,50H,1-3H3;;;;/q4*-1;;;;
InChIKeyJQNIAGJGQUQSHY-UHFFFAOYSA-N
MW3485.71 g/mol
LogP45.19
Rot. Bonds24

About 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum

4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 158937722) has the molecular formula C186H154N18O4Pt4-4 and a molecular weight of 3485.71 g/mol. Its IUPAC name is 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID158937722
Molecular FormulaC186H154N18O4Pt4-4
Molecular Weight3485.71 g/mol
Exact Mass3483.10
IUPAC Name4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C49H43N4O.2C44H34N5O.4Pt/c1-48(2,3)37-23-24-44(54)40(31-37)47-52-46-39(35-26-36(41-21-13-14-25-50-41)28-38(27-35)49(4,5)6)20-15-22-43(46)53(47)45-30-34(32-16-9-7-10-17-32)29-42(51-45)33-18-11-8-12-19-33;1-48(2,3)36-23-24-45(54)40(29-36)47-52-46-39(34-26-35(41-21-13-14-25-50-41)28-37(27-34)49(4,5)6)20-15-22-44(46)53(47)38-30-42(32-16-9-7-10-17-32)51-43(31-38)33-18-11-8-12-19-33;1-44(2,3)33-26-31(25-32(27-33)36-21-12-13-24-45-36)34-20-14-22-39-41(34)48-42(35-19-10-11-23-40(35)50)49(39)43-46-37(29-15-6-4-7-16-29)28-38(47-43)30-17-8-5-9-18-30;1-44(2,3)33-26-31(25-32(27-33)36-21-12-13-24-45-36)34-20-14-22-38-41(34)48-43(35-19-10-11-23-39(35)50)49(38)40-28-37(29-15-6-4-7-16-29)46-42(47-40)30-17-8-5-9-18-30;;;;/h2*7-25,27-31,54H,1-6H3;2*4-24,26-28,50H,1-3H3;;;;/q4*-1;;;;
InChIKeyJQNIAGJGQUQSHY-UHFFFAOYSA-N
XLogP45.19
TPSA281.10 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms212
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003485.71
LogP ≤ 545.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum (CID 158937722) is 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2cc(-c3ccccc3)cc(-c3ccccc3)n2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2cc(C(C)(C)C)ccc2O)n3-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is JQNIAGJGQUQSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H43N4O.2C44H34N5O.4Pt/c1-48(2,3)37-23-24-44(54)40(31-37)47-52-46-39(35-26-36(41-21-13-14-25-50-41)28-38(27-35)49(4,5)6)20-15-22-43(46)53(47)45-30-34(32-16-9-7-10-17-32)29-42(51-45)33-18-11-8-12-19-33;1-48(2,3)36-23-24-45(54)40(29-36)47-52-46-39(34-26-35(41-21-13-14-25-50-41)28-37(27-34)49(4,5)6)20-15-22-44(46)53(47)38-30-42(32-16-9-7-10-17-32)51-43(31-38)33-18-11-8-12-19-33;1-44(2,3)33-26-31(25-32(27-33)36-21-12-13-24-45-36)34-20-14-22-39-41(34)48-42(35-19-10-11-23-40(35)50)49(39)43-46-37(29-15-6-4-7-16-29)28-38(47-43)30-17-8-5-9-18-30;1-44(2,3)33-26-31(25-32(27-33)36-21-12-13-24-45-36)34-20-14-22-38-41(34)48-43(35-19-10-11-23-39(35)50)49(38)40-28-37(29-15-6-4-7-16-29)46-42(47-40)30-17-8-5-9-18-30;;;;/h2*7-25,27-31,54H,1-6H3;2*4-24,26-28,50H,1-3H3;;;;/q4*-1;;;;.
What are the key properties of 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum?
4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 3485.71 g/mol, XLogP of 45.19, 24 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenyl-4-pyridinyl)benzimidazol-2-yl]phenol;4-tert-butyl-2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenyl-2-pyridinyl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(2,6-diphenylpyrimidin-4-yl)benzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-(4,6-diphenylpyrimidin-2-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 158937722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).