(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline

C26H28NO2PtS2- — CID 176774592

IUPAC(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C.[Pt].[c-]1c(-c2nccc3ccccc23)sc2ccsc12
InChIInChI=1S/C15H8NS2.C11H20O2.Pt/c1-2-4-11-10(3-1)5-7-16-15(11)14-9-13-12(18-14)6-8-17-13;1-10(2,3)8(12)7-9(13)11(4,5)6;/h1-8H;7,12H,1-6H3;/q-1;;/b;8-7-;
InChIKeyGRTPPMWSVSMECX-HXIBTQJOSA-N
MW645.73 g/mol
LogP8.07
Rot. Bonds2

About (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline

(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline (PubChem CID 176774592) has the molecular formula C26H28NO2PtS2- and a molecular weight of 645.73 g/mol. Its IUPAC name is (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline.

Molecular Properties

Compound Name(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline
PubChem CID176774592
Molecular FormulaC26H28NO2PtS2-
Molecular Weight645.73 g/mol
Exact Mass645.12
IUPAC Name(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline
SMILESCC(C)(C)C(=O)/C=C(\O)C(C)(C)C.[Pt].[c-]1c(-c2nccc3ccccc23)sc2ccsc12
InChIInChI=1S/C15H8NS2.C11H20O2.Pt/c1-2-4-11-10(3-1)5-7-16-15(11)14-9-13-12(18-14)6-8-17-13;1-10(2,3)8(12)7-9(13)11(4,5)6;/h1-8H;7,12H,1-6H3;/q-1;;/b;8-7-;
InChIKeyGRTPPMWSVSMECX-HXIBTQJOSA-N
XLogP8.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.73
LogP ≤ 58.07
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'}

Analyze (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

1-(4-tert-butylbenzene-6-id-1-yl)isoquinoline;5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 160716172
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;4-(3-methyl-5-phenylbenzene-2-id-1-yl)benzo[f]isoquinoline
CID 168745112
bis(4-(3,5-dimethylbenzene-6-id-1-yl)benzo[f]isoquinoline);(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 168745438
CID 160799576
CID 160799576
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;7-(phenoxy)thieno[2,3-c]pyridine
CID 153460436
CID 158559309
CID 158559309
CID 164814840
CID 164814840
3,6-dipyridin-2-yl-2,5-dihydropyrazine-2,5-diide;bis((Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one);platinum
CID 177296338
(Z)-4-hydroxypent-3-en-2-one;iridium;2-isoquinolin-1-yl-1,3-benzothiazole
CID 59638803
(Z)-6-hydroxy-3,3,7,7-tetramethylnon-5-en-4-one;iridium;1-(1H-naphthalen-1-id-2-yl)benzo[h]isoquinoline
CID 162482605
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium;trimethyl-[1-(4-propan-2-yl-1H-naphthalen-1-id-2-yl)-[1]benzothiolo[3,2-c]pyridin-7-yl]silane
CID 171764287
1-(3,5-dimethylbenzene-6-id-1-yl)-6-(trifluoromethyl)benzo[h]isoquinoline;(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;iridium
CID 155620611

Frequently Asked Questions

What is the IUPAC name of (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline?
The IUPAC name of (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline (CID 176774592) is (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline.
What is the SMILES notation for (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline?
The canonical SMILES for (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline is CC(C)(C)C(=O)/C=C(\O)C(C)(C)C.[Pt].[c-]1c(-c2nccc3ccccc23)sc2ccsc12.
What is the InChIKey of (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline?
The InChIKey is GRTPPMWSVSMECX-HXIBTQJOSA-N. The full InChI is InChI=1S/C15H8NS2.C11H20O2.Pt/c1-2-4-11-10(3-1)5-7-16-15(11)14-9-13-12(18-14)6-8-17-13;1-10(2,3)8(12)7-9(13)11(4,5)6;/h1-8H;7,12H,1-6H3;/q-1;;/b;8-7-;.
What are the key properties of (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline?
(Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline has a molecular weight of 645.73 g/mol, XLogP of 8.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-one;platinum;1-(6H-thieno[3,2-b]thiophen-6-id-5-yl)isoquinoline is sourced from PubChem (CID 176774592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).