1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C39H38F3N2O2Pt- — CID 59449589

IUPAC1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)C(O)CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Pt]
InChIInChI=1S/C27H31NO2.C12H7F3N.Pt/c1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;/h4-13,15-16,21,26,29-30H,14,17-18H2,1-3H3;1-4,6-8H;/q;-1;
InChIKeyBCUROGDOONXBBT-UHFFFAOYSA-N
MW818.82 g/mol
LogP9.44
Rot. Bonds7

About 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 59449589) has the molecular formula C39H38F3N2O2Pt- and a molecular weight of 818.82 g/mol. Its IUPAC name is 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID59449589
Molecular FormulaC39H38F3N2O2Pt-
Molecular Weight818.82 g/mol
Exact Mass818.25
IUPAC Name1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)C(O)CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Pt]
InChIInChI=1S/C27H31NO2.C12H7F3N.Pt/c1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;/h4-13,15-16,21,26,29-30H,14,17-18H2,1-3H3;1-4,6-8H;/q;-1;
InChIKeyBCUROGDOONXBBT-UHFFFAOYSA-N
XLogP9.44
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.82
LogP ≤ 59.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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iridium;3-(5-methyl-2-pyridinyl)-9-phenyl-4H-carbazol-4-ide;pentane-2,4-diol;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 59449589) is 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC(C)(C)C(O)CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Pt].
What is the InChIKey of 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is BCUROGDOONXBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2.C12H7F3N.Pt/c1-27(2,3)26(30)18-21(29)17-14-19-12-15-20(16-13-19)28-24-10-6-4-8-22(24)23-9-5-7-11-25(23)28;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;/h4-13,15-16,21,26,29-30H,14,17-18H2,1-3H3;1-4,6-8H;/q;-1;.
What are the key properties of 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 818.82 g/mol, XLogP of 9.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 59449589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).