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+))

C100H94N10O2Pt2 — CID 171052731

IUPACbis(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+))
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(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.[Pt+2].[Pt+2]
InChIInChI=1S/2C31H22N4.2C19H25NO.2Pt/c2*1-33-21-34(23-11-4-2-5-12-23)31-29(33)19-22(20-32-31)25-16-10-18-28-30(25)26-15-8-9-17-27(26)35(28)24-13-6-3-7-14-24;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*2-11,13-21H,1H3;2*7-12H,1-6H3,(H,20,21);;/q2*-2;;;2*+2
InChIKeyAPICDESYZKRWOR-UHFFFAOYSA-N
MW1858.08 g/mol
LogP24.80
Rot. Bonds8

About 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+))

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+)) (PubChem CID 171052731) has the molecular formula C100H94N10O2Pt2 and a molecular weight of 1858.08 g/mol. Its IUPAC name is 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+)).

Molecular Properties

Compound Namebis(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+))
PubChem CID171052731
Molecular FormulaC100H94N10O2Pt2
Molecular Weight1858.08 g/mol
Exact Mass1856.69
IUPAC Namebis(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+))
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(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.[Pt+2].[Pt+2]
InChIInChI=1S/2C31H22N4.2C19H25NO.2Pt/c2*1-33-21-34(23-11-4-2-5-12-23)31-29(33)19-22(20-32-31)25-16-10-18-28-30(25)26-15-8-9-17-27(26)35(28)24-13-6-3-7-14-24;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*2-11,13-21H,1H3;2*7-12H,1-6H3,(H,20,21);;/q2*-2;;;2*+2
InChIKeyAPICDESYZKRWOR-UHFFFAOYSA-N
XLogP24.80
TPSA114.84 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001858.08
LogP ≤ 524.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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
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
bis(9-(4-tert-butyl-2-pyridinyl)-6-(9-phenylcarbazol-4-yl)-1H-carbazol-1-ide);platinum(2+)
CID 162446559
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
4-tert-butyl-3-carbazol-9-yl-5-(3,5-ditert-butylphenyl)-9-phenylcarbazole
CID 146578603
N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298373
9-[2-(6-tert-butyl-9-phenylcarbazol-3-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 176824399
16,22-bis(3,5-ditert-butylphenyl)-19-(9-phenylcarbazol-4-yl)-16,22-diaza-1-boranonacyclo[19.15.1.02,15.04,13.06,11.017,37.023,36.025,34.027,32]heptatriaconta-2,4,6,8,10,12,14,17,19,21(37),23,25,27,29,31,33,35-heptadecaene
CID 170670017
2-[4-(3,5-ditert-butylphenyl)-6-[3-[6-[9-(3-phenylphenyl)carbazol-2-yl]-2-pyridinyl]phenyl]-2-pyridinyl]phenol
CID 170542382
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
2-[1-(4-tert-butyl-2-phenylphenyl)-4-[3-tert-butyl-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162783113
N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 146293944

Frequently Asked Questions

What is the IUPAC name of 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+))?
The IUPAC name of 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) is 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+)).
What is the SMILES notation for 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+))?
The canonical SMILES for 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+)) 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(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.CN1[CH-]N(c2[c-]cccc2)c2ncc(-c3cccc4c3c3ccccc3n4-c3ccccc3)cc21.[Pt+2].[Pt+2].
What is the InChIKey of 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+))?
The InChIKey is APICDESYZKRWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H22N4.2C19H25NO.2Pt/c2*1-33-21-34(23-11-4-2-5-12-23)31-29(33)19-22(20-32-31)25-16-10-18-28-30(25)26-15-8-9-17-27(26)35(28)24-13-6-3-7-14-24;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*2-11,13-21H,1H3;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(4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)-9-phenylcarbazole);bis(platinum(2+))?
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+)) has a molecular weight of 1858.08 g/mol, XLogP of 24.80, 8 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(4-(1-methyl-3-phenyl-2H-imidazo[4,5-b]pyridin-2-id-6-yl)-9-phenylcarbazole);bis(platinum(2+)) is sourced from PubChem (CID 171052731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).