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+)

C53H48N4OPt — CID 170933264

IUPAC9-[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+)
SMILESCc1cc(Oc2[c-]c(-n3c4ccc(C)cc4c4cccnc43)cc(C)c2)[c-]c(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cccc2C)c1.[Pt+2]
InChIInChI=1S/C53H48N4O.Pt/c1-34-24-25-47-46(31-34)45-23-16-26-54-51(45)56(47)42-28-36(3)30-44(33-42)58-43-29-35(2)27-41(32-43)50-55-53(8,52(6,7)57(50)49-37(4)17-15-18-38(49)5)48(39-19-11-9-12-20-39)40-21-13-10-14-22-40;/h9-31,48H,1-8H3;/q-2;+2/t53-;/m1./s1
InChIKeyBUTCHMXZHNTLMX-JFZWEQCNSA-N
MW952.07 g/mol
LogP12.75
Rot. Bonds8

About 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+)

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+) (PubChem CID 170933264) has the molecular formula C53H48N4OPt and a molecular weight of 952.07 g/mol. Its IUPAC name is 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+).

Molecular Properties

Compound Name9-[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+)
PubChem CID170933264
Molecular FormulaC53H48N4OPt
Molecular Weight952.07 g/mol
Exact Mass951.35
IUPAC Name9-[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+)
SMILESCc1cc(Oc2[c-]c(-n3c4ccc(C)cc4c4cccnc43)cc(C)c2)[c-]c(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cccc2C)c1.[Pt+2]
InChIInChI=1S/C53H48N4O.Pt/c1-34-24-25-47-46(31-34)45-23-16-26-54-51(45)56(47)42-28-36(3)30-44(33-42)58-43-29-35(2)27-41(32-43)50-55-53(8,52(6,7)57(50)49-37(4)17-15-18-38(49)5)48(39-19-11-9-12-20-39)40-21-13-10-14-22-40;/h9-31,48H,1-8H3;/q-2;+2/t53-;/m1./s1
InChIKeyBUTCHMXZHNTLMX-JFZWEQCNSA-N
XLogP12.75
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500952.07
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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+) 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-[(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
17-[3-[(4R)-4-benzhydryl-1-(2,6-dimethylphenyl)-4,5,5-trimethylimidazol-2-yl]-5-methylphenoxy]-13,13,16-trimethyl-1,3-diazapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14(19),15,17-nonaene
CID 170932888
1-N,3-N-diphenyl-3-N-pyridin-2-yl-1-N-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]benzene-2-ide-1,3-diamine;6-methyl-9-[3-methyl-5-[3-methyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxybenzene-6-id-1-yl]pyrido[2,3-b]indole;N-phenyl-N-[3-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyridin-2-amine;N-phenyl-N-[3-[3-(N-pyridin-2-ylanilino)benzene-2-id-1-yl]sulfanylbenzene-2-id-1-yl]pyridin-2-amine;pentakis(platinum(2+));6-propan-2-yl-9-[3-[3-(6-propan-2-ylpyrido[2,3-b]indol-9-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]pyrido[2,3-b]indole
CID 158086195
(3aS,9aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-6,7-dimethyl-3a,4,9,9a-tetrahydrobenzo[f][1,3]benzoxazole;platinum(2+)
CID 170935564
(3aR,7aS)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole;platinum(2+)
CID 170933025
(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
(1S,9R)-11-[3-tert-butyl-5-[6-methyl-2-(6-phenylpyrido[2,3-b]indol-9-yl)-1H-carbazol-1-id-9-yl]benzene-6-id-1-yl]-5,6,9,19-tetramethyl-14-propan-2-yl-10,12-diazapentacyclo[10.8.0.01,9.03,8.013,18]icosa-3(8),4,6,10,13(18),14,16-heptaene;platinum(2+)
CID 170935560
(4R)-2-[3-[3-tert-butyl-5-(6-methylpyrido[2,3-b]indol-9-yl)benzene-6-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]-4-heptan-4-yl-4,5-dihydro-1,3-oxazole;platinum(2+)
CID 170934841
(2S,6R)-4-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-2,6-dimethyl-3-oxa-5-azatricyclo[8.4.0.02,6]tetradeca-1(14),4,10,12-tetraene;platinum(2+)
CID 170932547
(3aR,11bS)-2-[5-[3-(6-tert-butylpyrido[2,3-b]indol-9-yl)-5-methylbenzene-2-id-1-yl]oxy-2,4-dimethylbenzene-6-id-1-yl]-3a,5,7,8,10-pentamethyl-11bH-phenanthro[9,10-d][1,3]oxazole;platinum(2+)
CID 170935615
9-[9-[3-[(5R)-3-(3,5-ditert-butylphenyl)-5-(2,4-dimethylpentan-3-yl)-5-methyl-4H-imidazol-2-yl]-5-methylbenzene-2-id-1-yl]-3,6-dimethyl-1H-carbazol-1-id-2-yl]-6-phenylpyrido[2,3-b]indole;platinum(2+)
CID 170934458

Frequently Asked Questions

What is the IUPAC name of 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+)?
The IUPAC name of 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) is 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+).
What is the SMILES notation for 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+)?
The canonical SMILES for 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+) is Cc1cc(Oc2[c-]c(-n3c4ccc(C)cc4c4cccnc43)cc(C)c2)[c-]c(C2=N[C@](C)(C(c3ccccc3)c3ccccc3)C(C)(C)N2c2c(C)cccc2C)c1.[Pt+2].
What is the InChIKey of 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+)?
The InChIKey is BUTCHMXZHNTLMX-JFZWEQCNSA-N. The full InChI is InChI=1S/C53H48N4O.Pt/c1-34-24-25-47-46(31-34)45-23-16-26-54-51(45)56(47)42-28-36(3)30-44(33-42)58-43-29-35(2)27-41(32-43)50-55-53(8,52(6,7)57(50)49-37(4)17-15-18-38(49)5)48(39-19-11-9-12-20-39)40-21-13-10-14-22-40;/h9-31,48H,1-8H3;/q-2;+2/t53-;/m1./s1.
What are the key properties of 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+)?
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+) has a molecular weight of 952.07 g/mol, XLogP of 12.75, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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+) is sourced from PubChem (CID 170933264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).