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

C172H145N14O5Pt5S-5 — CID 161277652

IUPAC2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cc(C(C)(C)C)cc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C38H36N3O.3C34H28N3O.C32H25N2OS.5Pt/c1-37(2,3)27-21-25(20-26(22-27)32-17-12-13-19-39-32)31-23-28(38(4,5)6)24-33-35(31)40-36(30-16-10-11-18-34(30)42)41(33)29-14-8-7-9-15-29;1-34(2,3)25-19-20-35-29(22-25)24-12-9-11-23(21-24)27-16-10-17-30-32(27)36-33(28-15-7-8-18-31(28)38)37(30)26-13-5-4-6-14-26;1-34(2,3)25-21-28(23-12-11-13-24(20-23)29-17-9-10-19-35-29)32-30(22-25)37(26-14-5-4-6-15-26)33(36-32)27-16-7-8-18-31(27)38;1-34(2,3)25-21-23(20-24(22-25)29-16-9-10-19-35-29)27-15-11-17-30-32(27)36-33(28-14-7-8-18-31(28)38)37(30)26-12-5-4-6-13-26;1-32(2,3)23-18-21(17-22(19-23)29-24-10-5-4-9-20(24)15-16-33-29)25-12-8-14-28-30(25)34-31(36-28)26-11-6-7-13-27(26)35;;;;;/h7-19,21-24,42H,1-6H3;4-20,22,38H,1-3H3;2*4-19,21-22,38H,1-3H3;4-16,18-19,35H,1-3H3;;;;;/q5*-1;;;;;
InChIKeyRKAPSBWZYCWADM-UHFFFAOYSA-N
MW3495.60 g/mol
LogP42.83
Rot. Bonds19

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

2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum (PubChem CID 161277652) has the molecular formula C172H145N14O5Pt5S-5 and a molecular weight of 3495.60 g/mol. Its IUPAC name is 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum
PubChem CID161277652
Molecular FormulaC172H145N14O5Pt5S-5
Molecular Weight3495.60 g/mol
Exact Mass3492.95
IUPAC Name2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cc(C(C)(C)C)cc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C38H36N3O.3C34H28N3O.C32H25N2OS.5Pt/c1-37(2,3)27-21-25(20-26(22-27)32-17-12-13-19-39-32)31-23-28(38(4,5)6)24-33-35(31)40-36(30-16-10-11-18-34(30)42)41(33)29-14-8-7-9-15-29;1-34(2,3)25-19-20-35-29(22-25)24-12-9-11-23(21-24)27-16-10-17-30-32(27)36-33(28-15-7-8-18-31(28)38)37(30)26-13-5-4-6-14-26;1-34(2,3)25-21-28(23-12-11-13-24(20-23)29-17-9-10-19-35-29)32-30(22-25)37(26-14-5-4-6-15-26)33(36-32)27-16-7-8-18-31(27)38;1-34(2,3)25-21-23(20-24(22-25)29-16-9-10-19-35-29)27-15-11-17-30-32(27)36-33(28-14-7-8-18-31(28)38)37(30)26-12-5-4-6-13-26;1-32(2,3)23-18-21(17-22(19-23)29-24-10-5-4-9-20(24)15-16-33-29)25-12-8-14-28-30(25)34-31(36-28)26-11-6-7-13-27(26)35;;;;;/h7-19,21-24,42H,1-6H3;4-20,22,38H,1-3H3;2*4-19,21-22,38H,1-3H3;4-16,18-19,35H,1-3H3;;;;;/q5*-1;;;;;
InChIKeyRKAPSBWZYCWADM-UHFFFAOYSA-N
XLogP42.83
TPSA249.77 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms197
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003495.60
LogP ≤ 542.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

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

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum (CID 161277652) is 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2[c-]c(-c3ccccn3)ccc2)c2nc(-c3ccccc3O)n(-c3ccccc3)c2c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cc(C(C)(C)C)cc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2ccccn2)[c-]c(-c2cccc3c2nc(-c2ccccc2O)n3-c2ccccc2)c1.CC(C)(C)c1cc(-c2nccc3ccccc23)[c-]c(-c2cccc3sc(-c4ccccc4O)nc23)c1.CC(C)(C)c1ccnc(-c2[c-]c(-c3cccc4c3nc(-c3ccccc3O)n4-c3ccccc3)ccc2)c1.[Pt].[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum?
The InChIKey is RKAPSBWZYCWADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N3O.3C34H28N3O.C32H25N2OS.5Pt/c1-37(2,3)27-21-25(20-26(22-27)32-17-12-13-19-39-32)31-23-28(38(4,5)6)24-33-35(31)40-36(30-16-10-11-18-34(30)42)41(33)29-14-8-7-9-15-29;1-34(2,3)25-19-20-35-29(22-25)24-12-9-11-23(21-24)27-16-10-17-30-32(27)36-33(28-15-7-8-18-31(28)38)37(30)26-13-5-4-6-14-26;1-34(2,3)25-21-28(23-12-11-13-24(20-23)29-17-9-10-19-35-29)32-30(22-25)37(26-14-5-4-6-15-26)33(36-32)27-16-7-8-18-31(27)38;1-34(2,3)25-21-23(20-24(22-25)29-16-9-10-19-35-29)27-15-11-17-30-32(27)36-33(28-14-7-8-18-31(28)38)37(30)26-12-5-4-6-13-26;1-32(2,3)23-18-21(17-22(19-23)29-24-10-5-4-9-20(24)15-16-33-29)25-12-8-14-28-30(25)34-31(36-28)26-11-6-7-13-27(26)35;;;;;/h7-19,21-24,42H,1-6H3;4-20,22,38H,1-3H3;2*4-19,21-22,38H,1-3H3;4-16,18-19,35H,1-3H3;;;;;/q5*-1;;;;;.
What are the key properties of 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum?
2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum has a molecular weight of 3495.60 g/mol, XLogP of 42.83, 19 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-tert-butyl-4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-isoquinolin-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenol;2-[6-tert-butyl-1-phenyl-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1-phenylbenzimidazol-2-yl]phenol;2-[4-(3-tert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1-phenylbenzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 161277652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).