9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

C53H48N4Pt — CID 170934355

IUPAC9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cc(C)cc2C)[c-]c(-n2c3[c-]c(-c4cc(C)ccn4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C53H48N4.Pt/c1-34-25-26-54-46(31-34)41-23-24-45-44-21-15-16-22-47(44)56(48(45)33-41)43-30-36(3)29-42(32-43)51-55-53(8,49(39-17-11-9-12-18-39)40-19-13-10-14-20-40)52(6,7)57(51)50-37(4)27-35(2)28-38(50)5;/h9-31,49H,1-8H3;/q-2;+2/t53-;/m1./s1
InChIKeyWHIIETQKGMTLAZ-JFZWEQCNSA-N
MW936.07 g/mol
LogP12.62
Rot. Bonds7

About 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)

9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (PubChem CID 170934355) has the molecular formula C53H48N4Pt and a molecular weight of 936.07 g/mol. Its IUPAC name is 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).

Molecular Properties

Compound Name9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
PubChem CID170934355
Molecular FormulaC53H48N4Pt
Molecular Weight936.07 g/mol
Exact Mass935.35
IUPAC Name9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
SMILESCc1cc(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cc(C)cc2C)[c-]c(-n2c3[c-]c(-c4cc(C)ccn4)ccc3c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C53H48N4.Pt/c1-34-25-26-54-46(31-34)41-23-24-45-44-21-15-16-22-47(44)56(48(45)33-41)43-30-36(3)29-42(32-43)51-55-53(8,49(39-17-11-9-12-18-39)40-19-13-10-14-20-40)52(6,7)57(51)50-37(4)27-35(2)28-38(50)5;/h9-31,49H,1-8H3;/q-2;+2/t53-;/m1./s1
InChIKeyWHIIETQKGMTLAZ-JFZWEQCNSA-N
XLogP12.62
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.07
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) with MolForge

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Related Compounds

9-[9-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]-6-methyl-1H-carbazol-1-id-2-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
CID 170934702
9-[3-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-id-1-yl]-6-methylpyrido[2,3-b]indole;platinum(2+)
CID 170933264
(3aR,8bS)-3a,4,4,8b-tetramethyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]indeno[2,1-d][1,3]thiazole;platinum(2+)
CID 170934319
(4R)-4-tert-butyl-2-[3-methyl-5-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170932821
(4R)-4-cyclohexyl-2-[3-[2-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-9-yl]-5-phenylbenzene-2-id-1-yl]-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170935480
2-(1-methylbenzimidazol-2-yl)-9-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153285522
(3aS,11bR)-6,9-dimethyl-2-[3-methyl-5-[6-methyl-2-(6-methylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d]imidazole;platinum(2+)
CID 170932323
9-(4-methyl-2-pyridinyl)-2-[3-[(3-methyl-2-pyridinyl)sulfanyl]benzene-2-id-1-yl]-1H-carbazol-1-ide;platinum(2+)
CID 153421284
CID 164701917
CID 164701917
9-isoquinolin-1-yl-2-(9-isoquinolin-1-yl-1H-carbazol-1-id-2-yl)-1H-carbazol-1-ide;platinum(2+)
CID 164714409
9-(4-methyl-2-pyridinyl)-2-(3-pyridin-2-ylsulfonylbenzene-2-id-1-yl)-1H-carbazol-1-ide;platinum(2+)
CID 153421596
CID 164701894
CID 164701894

Frequently Asked Questions

What is the IUPAC name of 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The IUPAC name of 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) (CID 170934355) is 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+).
What is the SMILES notation for 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The canonical SMILES for 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is Cc1cc(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cc(C)cc2C)[c-]c(-n2c3[c-]c(-c4cc(C)ccn4)ccc3c3ccccc32)c1.[Pt+2].
What is the InChIKey of 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
The InChIKey is WHIIETQKGMTLAZ-JFZWEQCNSA-N. The full InChI is InChI=1S/C53H48N4.Pt/c1-34-25-26-54-46(31-34)41-23-24-45-44-21-15-16-22-47(44)56(48(45)33-41)43-30-36(3)29-42(32-43)51-55-53(8,49(39-17-11-9-12-18-39)40-19-13-10-14-20-40)52(6,7)57(51)50-37(4)27-35(2)28-38(50)5;/h9-31,49H,1-8H3;/q-2;+2/t53-;/m1./s1.
What are the key properties of 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)?
9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) has a molecular weight of 936.07 g/mol, XLogP of 12.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[(4R)-4-benzhydryl-4,5,5-trimethyl-1-(2,4,6-trimethylphenyl)imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-2-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+) is sourced from PubChem (CID 170934355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).