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

C40H37F6N2O2Pt- — CID 59449557

IUPAC2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum
SMILESCC(C)(C)C(O)CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C27H31NO2.C13H6F6N.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;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;/h4-13,15-16,21,26,29-30H,14,17-18H2,1-3H3;1-5,7H;/q;-1;
InChIKeyUDKBSFKEGFHYST-UHFFFAOYSA-N
MW886.81 g/mol
LogP10.46
Rot. Bonds7

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

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum (PubChem CID 59449557) has the molecular formula C40H37F6N2O2Pt- and a molecular weight of 886.81 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum
PubChem CID59449557
Molecular FormulaC40H37F6N2O2Pt-
Molecular Weight886.81 g/mol
Exact Mass886.24
IUPAC Name2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum
SMILESCC(C)(C)C(O)CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.[Pt]
InChIInChI=1S/C27H31NO2.C13H6F6N.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;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;/h4-13,15-16,21,26,29-30H,14,17-18H2,1-3H3;1-5,7H;/q;-1;
InChIKeyUDKBSFKEGFHYST-UHFFFAOYSA-N
XLogP10.46
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.81
LogP ≤ 510.46
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

{3-benzyl-1-[(1-methyl-1H-indol-3-yl)methyl]piperidin-3-yl}methanol
CID 16188248
(3S,8R,9S,10R,13S,14S)-17-indol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
CID 71734667
[1-[(1-ethyl-1H-indol-3-yl)methyl]-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 23723306
2-[3-[1-[3-(Trifluoromethyl)phenyl]indol-3-yl]-4,5-dihydro-1,2-oxazol-5-yl]ethanol
CID 51346930
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-2H-carbazol-2-ide)
CID 139253798
{3-(4-fluorobenzyl)-1-[(1-methyl-1H-indol-3-yl)methyl]-3-piperidinyl}methanol
CID 45183780
9-[2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57873106
9-[4-(1,1,1,3,3,3-Hexafluoro-2-pyridin-2-ylpropan-2-yl)phenyl]-3,6-bis(2-phenylpropan-2-yl)carbazole
CID 57976991
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
CID 58299274
iridium;pentane-2,4-diol;9-phenyl-4H-carbazol-4-ide;9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide;3-(trifluoromethyl)pyridine
CID 59449566
1-(4-Carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
CID 59449589
iridium;pentane-2,4-diol;bis(9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-carbazol-4-ide)
CID 59449600

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum (CID 59449557) is 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum is CC(C)(C)C(O)CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.FC(F)(F)c1[c-]c(-c2ccccn2)cc(C(F)(F)F)c1.[Pt].
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum?
The InChIKey is UDKBSFKEGFHYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO2.C13H6F6N.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;14-12(15,16)9-5-8(11-3-1-2-4-20-11)6-10(7-9)13(17,18)19;/h4-13,15-16,21,26,29-30H,14,17-18H2,1-3H3;1-5,7H;/q;-1;.
What are the key properties of 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum?
2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum has a molecular weight of 886.81 g/mol, XLogP of 10.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;1-(4-carbazol-9-ylphenyl)-6,6-dimethylheptane-3,5-diol;platinum is sourced from PubChem (CID 59449557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).