2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

C188H166N16O4Pt4-4 — CID 157242621

IUPAC2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cccnn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cccnn5)ccc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccncn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nncc6ccccc56)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C53H45N4O.2C49H43N4O.C37H35N4O.4Pt/c1-52(2,3)40-31-44(50(58)45(32-40)53(4,5)6)51-55-49-43(25-17-27-47(49)57(51)46-26-16-15-23-41(46)35-20-11-8-12-21-35)38-28-37(34-18-9-7-10-19-34)29-39(30-38)48-42-24-14-13-22-36(42)33-54-56-48;1-48(2,3)37-30-40(46(54)41(31-37)49(4,5)6)47-51-45-39(22-15-25-44(45)53(47)43-24-14-13-21-38(43)33-19-11-8-12-20-33)35-27-34(32-17-9-7-10-18-32)28-36(29-35)42-23-16-26-50-52-42;1-48(2,3)37-29-40(46(54)41(30-37)49(4,5)6)47-52-45-39(21-15-23-44(45)53(47)43-22-14-13-20-38(43)33-18-11-8-12-19-33)35-26-34(32-16-9-7-10-17-32)27-36(28-35)42-24-25-50-31-51-42;1-36(2,3)26-22-29(34(42)30(23-26)37(4,5)6)35-39-33-28(17-11-19-32(33)41(35)27-15-8-7-9-16-27)24-13-10-14-25(21-24)31-18-12-20-38-40-31;;;;/h7-29,31-33,58H,1-6H3;7-28,30-31,54H,1-6H3;7-27,29-31,54H,1-6H3;7-20,22-23,42H,1-6H3;;;;/q4*-1;;;;
InChIKeyYKIGFNJWSMKSRP-UHFFFAOYSA-N
MW3493.82 g/mol
LogP46.81
Rot. Bonds22

About 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum

2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (PubChem CID 157242621) has the molecular formula C188H166N16O4Pt4-4 and a molecular weight of 3493.82 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
PubChem CID157242621
Molecular FormulaC188H166N16O4Pt4-4
Molecular Weight3493.82 g/mol
Exact Mass3491.19
IUPAC Name2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum
SMILESCC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cccnn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cccnn5)ccc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccncn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nncc6ccccc56)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/C53H45N4O.2C49H43N4O.C37H35N4O.4Pt/c1-52(2,3)40-31-44(50(58)45(32-40)53(4,5)6)51-55-49-43(25-17-27-47(49)57(51)46-26-16-15-23-41(46)35-20-11-8-12-21-35)38-28-37(34-18-9-7-10-19-34)29-39(30-38)48-42-24-14-13-22-36(42)33-54-56-48;1-48(2,3)37-30-40(46(54)41(31-37)49(4,5)6)47-51-45-39(22-15-25-44(45)53(47)43-24-14-13-21-38(43)33-19-11-8-12-20-33)35-27-34(32-17-9-7-10-18-32)28-36(29-35)42-23-16-26-50-52-42;1-48(2,3)37-29-40(46(54)41(30-37)49(4,5)6)47-52-45-39(21-15-23-44(45)53(47)43-22-14-13-20-38(43)33-18-11-8-12-19-33)35-26-34(32-16-9-7-10-17-32)27-36(28-35)42-24-25-50-31-51-42;1-36(2,3)26-22-29(34(42)30(23-26)37(4,5)6)35-39-33-28(17-11-19-32(33)41(35)27-15-8-7-9-16-27)24-13-10-14-25(21-24)31-18-12-20-38-40-31;;;;/h7-29,31-33,58H,1-6H3;7-28,30-31,54H,1-6H3;7-27,29-31,54H,1-6H3;7-20,22-23,42H,1-6H3;;;;/q4*-1;;;;
InChIKeyYKIGFNJWSMKSRP-UHFFFAOYSA-N
XLogP46.81
TPSA255.32 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds22
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003493.82
LogP ≤ 546.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-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
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
CID 159883268
CID 159883268

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The IUPAC name of 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum (CID 157242621) is 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum.
What is the SMILES notation for 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The canonical SMILES for 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cccnn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cccnn5)ccc4)cccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5ccncn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5nncc6ccccc56)cc(-c5ccccc5)c4)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-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
The InChIKey is YKIGFNJWSMKSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H45N4O.2C49H43N4O.C37H35N4O.4Pt/c1-52(2,3)40-31-44(50(58)45(32-40)53(4,5)6)51-55-49-43(25-17-27-47(49)57(51)46-26-16-15-23-41(46)35-20-11-8-12-21-35)38-28-37(34-18-9-7-10-19-34)29-39(30-38)48-42-24-14-13-22-36(42)33-54-56-48;1-48(2,3)37-30-40(46(54)41(31-37)49(4,5)6)47-51-45-39(22-15-25-44(45)53(47)43-24-14-13-21-38(43)33-19-11-8-12-20-33)35-27-34(32-17-9-7-10-18-32)28-36(29-35)42-23-16-26-50-52-42;1-48(2,3)37-29-40(46(54)41(30-37)49(4,5)6)47-52-45-39(21-15-23-44(45)53(47)43-22-14-13-20-38(43)33-18-11-8-12-19-33)35-26-34(32-16-9-7-10-17-32)27-36(28-35)42-24-25-50-31-51-42;1-36(2,3)26-22-29(34(42)30(23-26)37(4,5)6)35-39-33-28(17-11-19-32(33)41(35)27-15-8-7-9-16-27)24-13-10-14-25(21-24)31-18-12-20-38-40-31;;;;/h7-29,31-33,58H,1-6H3;7-28,30-31,54H,1-6H3;7-27,29-31,54H,1-6H3;7-20,22-23,42H,1-6H3;;;;/q4*-1;;;;.
What are the key properties of 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum?
2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum has a molecular weight of 3493.82 g/mol, XLogP of 46.81, 22 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-phthalazin-1-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyridazin-3-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-(2-phenylphenyl)-4-(3-phenyl-5-pyrimidin-4-ylbenzene-6-id-1-yl)benzimidazol-2-yl]phenol;2,4-ditert-butyl-6-[1-phenyl-4-(3-pyridazin-3-ylbenzene-2-id-1-yl)benzimidazol-2-yl]phenol;platinum is sourced from PubChem (CID 157242621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).