1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C191H165F7N10O8Pt4-4 — CID 162278872

IUPAC1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)C(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C31H21F2N2.2C27H29NO2.C27H27NO2.C24H21NO2.C12H7F3N.C12H10N.4Pt/c2*32-23-14-17-27(28(33)19-23)29-18-13-22(20-34-29)10-9-21-11-15-24(16-12-21)35-30-7-3-1-5-25(30)26-6-2-4-8-31(26)35;3*1-27(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;1-17(26)16-20(27)15-12-18-10-13-19(14-11-18)25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;;;;/h2*1-8,11-16,18-20H,9-10H2;4-13,15-16,18,26,29-30H,14,17H2,1-3H3;4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-13,15-16,18,30H,14,17H2,1-3H3;2-11,13-14,16,26H,12,15H2,1H3;1-4,6-8H;2-7,9H,1H3;;;;/q2*-1;;;;;2*-1;;;;
InChIKeyKZRXWWAMPLZGHU-UHFFFAOYSA-N
MW3641.78 g/mol
LogP47.48
Rot. Bonds32

About 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 162278872) has the molecular formula C191H165F7N10O8Pt4-4 and a molecular weight of 3641.78 g/mol. Its IUPAC name is 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Name1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID162278872
Molecular FormulaC191H165F7N10O8Pt4-4
Molecular Weight3641.78 g/mol
Exact Mass3639.13
IUPAC Name1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESCC(C)(C)C(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.[Pt].[Pt].[Pt].[Pt]
InChIInChI=1S/2C31H21F2N2.2C27H29NO2.C27H27NO2.C24H21NO2.C12H7F3N.C12H10N.4Pt/c2*32-23-14-17-27(28(33)19-23)29-18-13-22(20-34-29)10-9-21-11-15-24(16-12-21)35-30-7-3-1-5-25(30)26-6-2-4-8-31(26)35;3*1-27(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;1-17(26)16-20(27)15-12-18-10-13-19(14-11-18)25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;;;;/h2*1-8,11-16,18-20H,9-10H2;4-13,15-16,18,26,29-30H,14,17H2,1-3H3;4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-13,15-16,18,30H,14,17H2,1-3H3;2-11,13-14,16,26H,12,15H2,1H3;1-4,6-8H;2-7,9H,1H3;;;;/q2*-1;;;;;2*-1;;;;
InChIKeyKZRXWWAMPLZGHU-UHFFFAOYSA-N
XLogP47.48
TPSA236.66 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds32
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003641.78
LogP ≤ 547.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 162278872) is 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC(C)(C)C(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)=CC(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(C)(C)C(O)C=C(O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.CC(O)=CC(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1c[c-]c(-c2ccccn2)cc1.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.[Pt].[Pt].[Pt].[Pt].
What is the InChIKey of 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is KZRXWWAMPLZGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H21F2N2.2C27H29NO2.C27H27NO2.C24H21NO2.C12H7F3N.C12H10N.4Pt/c2*32-23-14-17-27(28(33)19-23)29-18-13-22(20-34-29)10-9-21-11-15-24(16-12-21)35-30-7-3-1-5-25(30)26-6-2-4-8-31(26)35;3*1-27(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;1-17(26)16-20(27)15-12-18-10-13-19(14-11-18)25-23-8-4-2-6-21(23)22-7-3-5-9-24(22)25;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;;;;/h2*1-8,11-16,18-20H,9-10H2;4-13,15-16,18,26,29-30H,14,17H2,1-3H3;4-13,15-16,18,21,29-30H,14,17H2,1-3H3;4-13,15-16,18,30H,14,17H2,1-3H3;2-11,13-14,16,26H,12,15H2,1H3;1-4,6-8H;2-7,9H,1H3;;;;/q2*-1;;;;;2*-1;;;;.
What are the key properties of 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 3641.78 g/mol, XLogP of 47.48, 32 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbazol-9-ylphenyl)-6,6-dimethylhept-3-ene-3,5-diol;7-(4-carbazol-9-ylphenyl)-2,2-dimethylhept-3-ene-3,5-diol;1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;1-(4-carbazol-9-ylphenyl)-5-hydroxyhex-4-en-3-one;bis(9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole);2-(4-methylbenzene-6-id-1-yl)pyridine;platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 162278872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).