2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

C200H172N12O4Pt4-4 — CID 157073386

IUPAC2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6ccccc6cn5)cc5ccccc45)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6ccccc6cn5)ccc4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5ccccc45)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6ccccc56)c5ccccc5c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C52H44N3O.2C48H42N3O.4Pt/c1-51(2,3)37-31-43(49(56)44(32-37)52(4,5)6)50-54-48-41(24-16-26-46(48)55(50)45-25-15-14-22-39(45)33-17-8-7-9-18-33)36-29-35-20-11-12-21-38(35)42(30-36)47-40-23-13-10-19-34(40)27-28-53-47;1-51(2,3)38-30-43(49(56)44(31-38)52(4,5)6)50-54-48-41(24-16-26-47(48)55(50)46-25-15-14-23-40(46)33-17-8-7-9-18-33)42-28-37(27-35-20-12-13-22-39(35)42)45-29-34-19-10-11-21-36(34)32-53-45;1-47(2,3)36-28-39(45(52)40(29-36)48(4,5)6)46-50-44-38(33-20-14-21-34(26-33)41-27-32-18-10-11-19-35(32)30-49-41)23-15-25-43(44)51(46)42-24-13-12-22-37(42)31-16-8-7-9-17-31;1-47(2,3)34-29-39(45(52)40(30-34)48(4,5)6)46-50-44-37(38-28-33(41-23-14-15-26-49-41)27-32-19-10-11-20-35(32)38)22-16-25-43(44)51(46)42-24-13-12-21-36(42)31-17-8-7-9-18-31;;;;/h7-29,31-32,56H,1-6H3;7-27,29-32,56H,1-6H3;7-25,27-30,52H,1-6H3;7-27,29-30,52H,1-6H3;;;;/q4*-1;;;;
InChIKeyGAZPVMVTZDEKBI-UHFFFAOYSA-N
MW3587.97 g/mol
LogP51.67
Rot. Bonds20

About 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 157073386) has the molecular formula C200H172N12O4Pt4-4 and a molecular weight of 3587.97 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID157073386
Molecular FormulaC200H172N12O4Pt4-4
Molecular Weight3587.97 g/mol
Exact Mass3585.22
IUPAC Name2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6ccccc6cn5)cc5ccccc45)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6ccccc6cn5)ccc4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5ccccc45)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6ccccc56)c5ccccc5c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C52H44N3O.2C48H42N3O.4Pt/c1-51(2,3)37-31-43(49(56)44(32-37)52(4,5)6)50-54-48-41(24-16-26-46(48)55(50)45-25-15-14-22-39(45)33-17-8-7-9-18-33)36-29-35-20-11-12-21-38(35)42(30-36)47-40-23-13-10-19-34(40)27-28-53-47;1-51(2,3)38-30-43(49(56)44(31-38)52(4,5)6)50-54-48-41(24-16-26-47(48)55(50)46-25-15-14-23-40(46)33-17-8-7-9-18-33)42-28-37(27-35-20-12-13-22-39(35)42)45-29-34-19-10-11-21-36(34)32-53-45;1-47(2,3)36-28-39(45(52)40(29-36)48(4,5)6)46-50-44-38(33-20-14-21-34(26-33)41-27-32-18-10-11-19-35(32)30-49-41)23-15-25-43(44)51(46)42-24-13-12-22-37(42)31-16-8-7-9-17-31;1-47(2,3)34-29-39(45(52)40(30-34)48(4,5)6)46-50-44-37(38-28-33(41-23-14-15-26-49-41)27-32-19-10-11-20-35(32)38)22-16-25-43(44)51(46)42-24-13-12-21-36(42)31-17-8-7-9-18-31;;;;/h7-29,31-32,56H,1-6H3;7-27,29-32,56H,1-6H3;7-25,27-30,52H,1-6H3;7-27,29-30,52H,1-6H3;;;;/q4*-1;;;;
InChIKeyGAZPVMVTZDEKBI-UHFFFAOYSA-N
XLogP51.67
TPSA203.76 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003587.97
LogP ≤ 551.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum with MolForge

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Launch Full Analysis

Related Compounds

3-tert-butyl-N-[2-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-6-[10-(trifluoromethyl)benzo[g]quinazolin-4-yl]pyridin-2-amine;9-(4-tert-butyl-2-pyridinyl)-N-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]pyrido[2,3-b]indol-2-amine;2,4-ditert-butyl-6-[1-(4-tert-butyl-2-phenylphenyl)-4-[4-tert-butyl-6-[(4-phenyl-2-pyridinyl)amino]-2-pyridinyl]benzimidazol-2-yl]phenol;platinum;platinum(2+)
CID 157080983
CID 157462522
CID 157462522
CID 157617296
CID 157617296
CID 158157518
CID 158157518
CID 158239006
CID 158239006
CID 158431192
CID 158431192
Benzenesulfonyl-[2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]azanide;5-fluoro-2-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenol;1-(3-phenyl-3a,7a-dihydroimidazo[4,5-b]pyridin-2-yl)naphthalen-2-ol;2-(3-phenylimidazo[4,5-b]pyridin-2-yl)pyren-1-ol;2-[3-[3-(trifluoromethyl)phenyl]imidazo[4,5-b]pyridin-2-yl]phenol;ZINC
CID 158578822
CID 158636196
CID 158636196
CID 159096807
CID 159096807
2-[4-tert-butyl-6-[4-tert-butyl-6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;7,7-dimethyl-1,11-dihydrobenzo[a]phenalene-1,11-diide;3-(2,6-dimethylphenyl)-8-methyl-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5(10),6,8,11,13,15-octaene;N,N-diphenyl-6H-pyrido[2,1-a]isoindol-5-ium-2-amine;bis(4-hydroxypent-3-en-2-one);tris(iridium);5-methyl-2-phenylpyridine;1-phenylisoquinoline;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]quinoline
CID 159471047
CID 159570252
CID 159570252
CID 159810756
CID 159810756

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 157073386) is 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6ccccc6cn5)cc5ccccc45)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6ccccc6cn5)ccc4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccccn5)cc5ccccc45)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nccc6ccccc56)c5ccccc5c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is GAZPVMVTZDEKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H44N3O.2C48H42N3O.4Pt/c1-51(2,3)37-31-43(49(56)44(32-37)52(4,5)6)50-54-48-41(24-16-26-46(48)55(50)45-25-15-14-22-39(45)33-17-8-7-9-18-33)36-29-35-20-11-12-21-38(35)42(30-36)47-40-23-13-10-19-34(40)27-28-53-47;1-51(2,3)38-30-43(49(56)44(31-38)52(4,5)6)50-54-48-41(24-16-26-47(48)55(50)46-25-15-14-23-40(46)33-17-8-7-9-18-33)42-28-37(27-35-20-12-13-22-39(35)42)45-29-34-19-10-11-21-36(34)32-53-45;1-47(2,3)36-28-39(45(52)40(29-36)48(4,5)6)46-50-44-38(33-20-14-21-34(26-33)41-27-32-18-10-11-19-35(32)30-49-41)23-15-25-43(44)51(46)42-24-13-12-22-37(42)31-16-8-7-9-17-31;1-47(2,3)34-29-39(45(52)40(30-34)48(4,5)6)46-50-44-37(38-28-33(41-23-14-15-26-49-41)27-32-19-10-11-20-35(32)38)22-16-25-43(44)51(46)42-24-13-12-21-36(42)31-17-8-7-9-18-31;;;;/h7-29,31-32,56H,1-6H3;7-27,29-32,56H,1-6H3;7-25,27-30,52H,1-6H3;7-27,29-30,52H,1-6H3;;;;/q4*-1;;;;.
What are the key properties of 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 3587.97 g/mol, XLogP of 51.67, 20 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[4-(3-isoquinolin-3-ylbenzene-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(3-isoquinolin-3-yl-2H-naphthalen-2-id-1-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[4-(4-isoquinolin-1-yl-3H-naphthalen-3-id-2-yl)-1-(2-phenylphenyl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157073386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).