(Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum

C58H48F2N3O2Pt- — CID 59449564

IUPAC(Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum
SMILESCC(C)(C)/C(O)=C/C(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.[Pt]
InChIInChI=1S/C31H21F2N2.C27H27NO2.Pt/c32-23-14-17-27(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;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;/h1-8,11-16,18-20H,9-10H2;4-13,15-16,18,30H,14,17H2,1-3H3;/q-1;;/b;26-18-;
InChIKeyWCESSABYXIVGOY-UNMNVCLDSA-N
MW1052.11 g/mol
LogP14.48
Rot. Bonds10

About (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum

(Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum (PubChem CID 59449564) has the molecular formula C58H48F2N3O2Pt- and a molecular weight of 1052.11 g/mol. Its IUPAC name is (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum.

Molecular Properties

Compound Name(Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum
PubChem CID59449564
Molecular FormulaC58H48F2N3O2Pt-
Molecular Weight1052.11 g/mol
Exact Mass1051.34
IUPAC Name(Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum
SMILESCC(C)(C)/C(O)=C/C(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.[Pt]
InChIInChI=1S/C31H21F2N2.C27H27NO2.Pt/c32-23-14-17-27(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;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;/h1-8,11-16,18-20H,9-10H2;4-13,15-16,18,30H,14,17H2,1-3H3;/q-1;;/b;26-18-;
InChIKeyWCESSABYXIVGOY-UNMNVCLDSA-N
XLogP14.48
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.11
LogP ≤ 514.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

2,5-Dihydroxy-3,6-bis[[1-(2-methylbut-3-en-2-yl)indol-3-yl]methyl]cyclohexa-2,5-diene-1,4-dione
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(2E,6E)-2,6-bis[(1-methyl-1H-indol-3-yl)methylidene]cyclohexan-1-one
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ethyl (3E,5E)-3,5-bis[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]-4-oxopiperidine-1-carboxylate
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CID 127027179
(Z)-4-hydroxypent-3-en-2-one;iridium;bis(9-phenyl-3-[5-(trifluoromethyl)-2-pyridinyl]-2H-carbazol-2-ide)
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EIFD dy TPPO
CID 168338902
dioxidanium;bis((Z)-4-(9-butylcarbazol-3-yl)-1,1,1-trifluoro-4-oxobut-2-en-2-olate);cadmium(2+)
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9-[2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;(Z)-4-hydroxypent-3-en-2-one;platinum
CID 57873106
(Z)-4-hydroxypent-3-en-2-one;9-[2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]carbazole;platinum
CID 58401259
9-(4-Fluorophenyl)-3-[9-(4-fluorophenyl)-6-[9-(4-fluorophenyl)-6-(5-methyl-3-pyridinyl)carbazol-3-yl]carbazol-3-yl]-6-(4-methyl-2-pyridinyl)carbazole
CID 88863161
2,2,2-Trifluoro-1-[3-[2-methyl-5-(5-phenylpyrido[4,3-b]indol-8-yl)-3-[3-(2,2,2-trifluoroacetyl)phenyl]phenyl]phenyl]ethanone
CID 130352890
[3,5-Bis[2-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]-(2,6-difluoro-3-pyridin-2-ylphenyl)methanone
CID 140293752

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum?
The IUPAC name of (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum (CID 59449564) is (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum.
What is the SMILES notation for (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum?
The canonical SMILES for (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum is CC(C)(C)/C(O)=C/C(=O)CCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Fc1c[c-]c(-c2ccc(CCc3ccc(-n4c5ccccc5c5ccccc54)cc3)cn2)c(F)c1.[Pt].
What is the InChIKey of (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum?
The InChIKey is WCESSABYXIVGOY-UNMNVCLDSA-N. The full InChI is InChI=1S/C31H21F2N2.C27H27NO2.Pt/c32-23-14-17-27(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;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;/h1-8,11-16,18-20H,9-10H2;4-13,15-16,18,30H,14,17H2,1-3H3;/q-1;;/b;26-18-;.
What are the key properties of (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum?
(Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum has a molecular weight of 1052.11 g/mol, XLogP of 14.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-carbazol-9-ylphenyl)-5-hydroxy-6,6-dimethylhept-4-en-3-one;9-[4-[2-[6-(2,4-difluorobenzene-6-id-1-yl)-3-pyridinyl]ethyl]phenyl]carbazole;platinum is sourced from PubChem (CID 59449564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).