2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

C209H196N12O5Pt4S2-4 — CID 157201140

IUPAC2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4c3sc3ccccc34)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4oc5ccccc5c34)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4sc5ccccc5c34)cccc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C53H48N3O2.2C53H48N3OS.C50H52N3O.4Pt/c2*1-32(2)39-27-34(33-17-10-9-11-18-33)24-25-44(39)56-45-22-16-20-37(49(45)55-51(56)41-30-36(52(3,4)5)31-42(50(41)57)53(6,7)8)40-28-35(43-21-14-15-26-54-43)29-47-48(40)38-19-12-13-23-46(38)58-47;1-32(2)39-27-34(33-17-10-9-11-18-33)24-25-45(39)56-46-22-16-20-38(48(46)55-51(56)42-30-36(52(3,4)5)31-43(49(42)57)53(6,7)8)41-29-35(44-21-14-15-26-54-44)28-40-37-19-12-13-23-47(37)58-50(40)41;1-31(2)39-27-36(33-18-12-11-13-19-33)28-40(32(3)4)46(39)53-44-24-17-22-38(34-20-16-21-35(26-34)43-23-14-15-25-51-43)45(44)52-48(53)41-29-37(49(5,6)7)30-42(47(41)54)50(8,9)10;;;;/h2*9-27,29-32,57H,1-8H3;9-28,30-32,57H,1-8H3;11-25,27-32,54H,1-10H3;;;;/q4*-1;;;;
InChIKeyYRPXBFNOSUDUTD-UHFFFAOYSA-N
MW3800.39 g/mol
LogP57.00
Rot. Bonds25

About 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 157201140) has the molecular formula C209H196N12O5Pt4S2-4 and a molecular weight of 3800.39 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID157201140
Molecular FormulaC209H196N12O5Pt4S2-4
Molecular Weight3800.39 g/mol
Exact Mass3797.35
IUPAC Name2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4c3sc3ccccc34)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4oc5ccccc5c34)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4sc5ccccc5c34)cccc21.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C53H48N3O2.2C53H48N3OS.C50H52N3O.4Pt/c2*1-32(2)39-27-34(33-17-10-9-11-18-33)24-25-44(39)56-45-22-16-20-37(49(45)55-51(56)41-30-36(52(3,4)5)31-42(50(41)57)53(6,7)8)40-28-35(43-21-14-15-26-54-43)29-47-48(40)38-19-12-13-23-46(38)58-47;1-32(2)39-27-34(33-17-10-9-11-18-33)24-25-45(39)56-46-22-16-20-38(48(46)55-51(56)42-30-36(52(3,4)5)31-43(49(42)57)53(6,7)8)41-29-35(44-21-14-15-26-54-44)28-40-37-19-12-13-23-47(37)58-50(40)41;1-31(2)39-27-36(33-18-12-11-13-19-33)28-40(32(3)4)46(39)53-44-24-17-22-38(34-20-16-21-35(26-34)43-23-14-15-25-51-43)45(44)52-48(53)41-29-37(49(5,6)7)30-42(47(41)54)50(8,9)10;;;;/h2*9-27,29-32,57H,1-8H3;9-28,30-32,57H,1-8H3;11-25,27-32,54H,1-10H3;;;;/q4*-1;;;;
InChIKeyYRPXBFNOSUDUTD-UHFFFAOYSA-N
XLogP57.00
TPSA216.90 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds25
Heavy Atoms232
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003800.39
LogP ≤ 557.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-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-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 157201140) is 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)ccc3)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4c3sc3ccccc34)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4oc5ccccc5c34)cccc21.CC(C)c1cc(-c2ccccc2)ccc1-n1c(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)nc2c(-c3[c-]c(-c4ccccn4)cc4sc5ccccc5c34)cccc21.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is YRPXBFNOSUDUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H48N3O2.2C53H48N3OS.C50H52N3O.4Pt/c2*1-32(2)39-27-34(33-17-10-9-11-18-33)24-25-44(39)56-45-22-16-20-37(49(45)55-51(56)41-30-36(52(3,4)5)31-42(50(41)57)53(6,7)8)40-28-35(43-21-14-15-26-54-43)29-47-48(40)38-19-12-13-23-46(38)58-47;1-32(2)39-27-34(33-17-10-9-11-18-33)24-25-45(39)56-46-22-16-20-38(48(46)55-51(56)42-30-36(52(3,4)5)31-43(49(42)57)53(6,7)8)41-29-35(44-21-14-15-26-54-44)28-40-37-19-12-13-23-47(37)58-50(40)41;1-31(2)39-27-36(33-18-12-11-13-19-33)28-40(32(3)4)46(39)53-44-24-17-22-38(34-20-16-21-35(26-34)43-23-14-15-25-51-43)45(44)52-48(53)41-29-37(49(5,6)7)30-42(47(41)54)50(8,9)10;;;;/h2*9-27,29-32,57H,1-8H3;9-28,30-32,57H,1-8H3;11-25,27-32,54H,1-10H3;;;;/q4*-1;;;;.
What are the key properties of 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 3800.39 g/mol, XLogP of 57.00, 25 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-4-(3-pyridin-2-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzofuran-2-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(2-pyridin-2-yl-3H-dibenzothiophen-3-id-4-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(4-phenyl-2-propan-2-ylphenyl)-4-(3-pyridin-2-yl-2H-dibenzothiophen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157201140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).