bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))

C90H90N10O2Pt2 — CID 171052798

IUPACbis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2cccc(O)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(O)n2)cc(C(C)(C)C)c1.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4C)cc21.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4C)cc21.[Pt+2].[Pt+2]
InChIInChI=1S/2C26H20N4.2C19H25NO.2Pt/c2*1-28-17-30(19-9-4-3-5-10-19)26-24(28)15-18(16-27-26)20-12-8-14-23-25(20)21-11-6-7-13-22(21)29(23)2;2*1-18(2,3)14-10-13(11-15(12-14)19(4,5)6)16-8-7-9-17(21)20-16;;/h2*3-9,11-17H,1-2H3;2*7-12H,1-6H3,(H,20,21);;/q2*-2;;;2*+2
InChIKeyLHILHTBUWBSKSE-UHFFFAOYSA-N
MW1733.93 g/mol
LogP21.90
Rot. Bonds6

About bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))

bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+)) (PubChem CID 171052798) has the molecular formula C90H90N10O2Pt2 and a molecular weight of 1733.93 g/mol. Its IUPAC name is bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+)).

Molecular Properties

Compound Namebis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))
PubChem CID171052798
Molecular FormulaC90H90N10O2Pt2
Molecular Weight1733.93 g/mol
Exact Mass1732.65
IUPAC Namebis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))
SMILESCC(C)(C)c1cc(-c2cccc(O)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(O)n2)cc(C(C)(C)C)c1.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4C)cc21.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4C)cc21.[Pt+2].[Pt+2]
InChIInChI=1S/2C26H20N4.2C19H25NO.2Pt/c2*1-28-17-30(19-9-4-3-5-10-19)26-24(28)15-18(16-27-26)20-12-8-14-23-25(20)21-11-6-7-13-22(21)29(23)2;2*1-18(2,3)14-10-13(11-15(12-14)19(4,5)6)16-8-7-9-17(21)20-16;;/h2*3-9,11-17H,1-2H3;2*7-12H,1-6H3,(H,20,21);;/q2*-2;;;2*+2
InChIKeyLHILHTBUWBSKSE-UHFFFAOYSA-N
XLogP21.90
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.93
LogP ≤ 521.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)-9-phenylcarbazole);bis(platinum(2+))
CID 171052731
4-[4-[3-(3,5-ditert-butylphenyl)-5-pyridin-2-ylphenyl]-1-methylbenzimidazol-2-yl]pyridin-3-ol
CID 140864701
tris(2-tert-butyl-9-(3-tert-butylbenzene-6-id-1-yl)-7-methyl-8H-purin-8-ide);iridium
CID 166503793
3-[3-tert-butyl-5-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-9-phenyl-2H-carbazol-2-ide;platinum(4+)
CID 155620232
2,6-bis(3,5-ditert-butylphenyl)pyridine
CID 102450802
2-[4-[3-tert-butyl-5-[4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-2-pyridinyl]phenyl]-1-(3,5-ditert-butylphenyl)benzimidazol-2-yl]phenol
CID 177093805
lawrencium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 170209546
2-[4-(3,5-ditert-butylphenyl)-6-[3-[3-(9-phenylcarbazol-4-yl)-2-pyridinyl]benzene-2-id-1-yl]-2-pyridinyl]phenol;platinum
CID 170542300
4-tert-butyl-2-[4-[4-tert-butyl-6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]butyl]-6-(4-fluorobenzene-6-id-1-yl)pyridine;iridium;1-methyl-3-phenyl-2H-benzimidazol-2-ide
CID 162468961
9-methyl-4-(1-methylindol-2-yl)carbazole
CID 13159227
bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)
CID 162446559
9-methyl-2-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-(9-methylcarbazol-3-yl)carbazole;9-methyl-3-(9-methylcarbazol-4-yl)carbazole;9-methyl-4-(9-methylcarbazol-4-yl)carbazole;9-methyl-3-[4-(9-methylcarbazol-3-yl)phenyl]carbazole
CID 159041111

Frequently Asked Questions

What is the IUPAC name of bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))?
The IUPAC name of bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+)) (CID 171052798) is bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+)).
What is the SMILES notation for bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))?
The canonical SMILES for bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+)) is CC(C)(C)c1cc(-c2cccc(O)n2)cc(C(C)(C)C)c1.CC(C)(C)c1cc(-c2cccc(O)n2)cc(C(C)(C)C)c1.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4C)cc21.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4C)cc21.[Pt+2].[Pt+2].
What is the InChIKey of bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))?
The InChIKey is LHILHTBUWBSKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H20N4.2C19H25NO.2Pt/c2*1-28-17-30(19-9-4-3-5-10-19)26-24(28)15-18(16-27-26)20-12-8-14-23-25(20)21-11-6-7-13-22(21)29(23)2;2*1-18(2,3)14-10-13(11-15(12-14)19(4,5)6)16-8-7-9-17(21)20-16;;/h2*3-9,11-17H,1-2H3;2*7-12H,1-6H3,(H,20,21);;/q2*-2;;;2*+2.
What are the key properties of bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+))?
bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+)) has a molecular weight of 1733.93 g/mol, XLogP of 21.90, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-(3,5-ditert-butylphenyl)pyridin-2-ol);bis(9-methyl-4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)carbazole);bis(platinum(2+)) is sourced from PubChem (CID 171052798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).