3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum

C46H36N2O5Pt2S2-2 — CID 171419757

IUPAC3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum
SMILESCC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.[Pt].[Pt].[c-]1ccc2c(oc3c(-c4cc5sc6ccccc6c5cn4)[c-]ccc32)c1-c1cc2sc3ccccc3c2cn1
InChIInChI=1S/C34H16N2OS2.2C6H10O2.2Pt/c1-3-13-29-19(7-1)25-17-35-27(15-31(25)38-29)23-11-5-9-21-22-10-6-12-24(34(22)37-33(21)23)28-16-32-26(18-36-28)20-8-2-4-14-30(20)39-32;2*1-4(5(2)7)6(3)8;;/h1-10,13-18H;2*7H,1-3H3;;/q-2;;;;/b;2*5-4-;;
InChIKeyJCVPNYMDHYIKRO-OHGDTNDOSA-N
MW1151.09 g/mol
LogP12.90
Rot. Bonds4

About 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum

3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum (PubChem CID 171419757) has the molecular formula C46H36N2O5Pt2S2-2 and a molecular weight of 1151.09 g/mol. Its IUPAC name is 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum.

Molecular Properties

Compound Name3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum
PubChem CID171419757
Molecular FormulaC46H36N2O5Pt2S2-2
Molecular Weight1151.09 g/mol
Exact Mass1150.14
IUPAC Name3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum
SMILESCC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.[Pt].[Pt].[c-]1ccc2c(oc3c(-c4cc5sc6ccccc6c5cn4)[c-]ccc32)c1-c1cc2sc3ccccc3c2cn1
InChIInChI=1S/C34H16N2OS2.2C6H10O2.2Pt/c1-3-13-29-19(7-1)25-17-35-27(15-31(25)38-29)23-11-5-9-21-22-10-6-12-24(34(22)37-33(21)23)28-16-32-26(18-36-28)20-8-2-4-14-30(20)39-32;2*1-4(5(2)7)6(3)8;;/h1-10,13-18H;2*7H,1-3H3;;/q-2;;;;/b;2*5-4-;;
InChIKeyJCVPNYMDHYIKRO-OHGDTNDOSA-N
XLogP12.90
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001151.09
LogP ≤ 512.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum with MolForge

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Related Compounds

3-dibenzofuran-4-yl-[1]benzothiolo[3,2-c]pyridine
CID 170531478
5-(3H-dibenzofuran-3-id-4-yl)-2-[3,5-di(propan-2-yl)phenyl]thieno[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626067
5-(3H-dibenzofuran-3-id-4-yl)-2-(2,6-dimethylphenyl)thieno[2,3-c]pyridine;5-(3H-dibenzofuran-3-id-4-yl)-2-phenylthieno[2,3-c]pyridine;bis(4-hydroxypent-3-en-2-one);bis(iridium)
CID 161388618
iridium;3-[6-(4-phenylphenyl)-3H-dibenzofuran-3-id-4-yl]-[1]benzothiolo[2,3-c]pyridine;2-[3-phenyl-4-(trideuteriomethyl)benzene-6-id-1-yl]-5-(trideuteriomethyl)pyridine
CID 162500381
2-(4-tert-butyl-2,6-dimethylphenyl)-5-(3H-dibenzofuran-3-id-4-yl)furo[2,3-c]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626295
tris(2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine);iridium(3+)
CID 171576778
4-(2,6-dimethylphenyl)-5-methyl-2-(2-methyl-8H-[1]benzothiolo[4,5-b][1]benzofuran-8-id-9-yl)pyridine;iridium;2-phenylpyridine
CID 168829831
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);2-(3H-dibenzothiophen-3-id-2-yl)-4-methylpyridine;pentakis(iridium);4-methyl-2-(6-methyl-3H-dibenzofuran-3-id-4-yl)pyridine;bis(5-methyl-2-phenylpyridine);bis(2-phenylpyridine)
CID 158812599
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;3-(6,7,8,9-tetrahydro-3H-dibenzofuran-3-id-4-yl)isoquinoline
CID 170518826
(Z)-4-hydroxypent-3-en-2-one;iridium;3-(2H-naphthalen-2-id-1-yl)phenanthro[9,10-c]pyridine
CID 59575301
4-(1,1-dideuterio-2,2-dimethylpropyl)-2-(9H-naphtho[1,2-b][1]benzofuran-9-id-10-yl)-5-(trideuteriomethyl)pyridine;7-fluoro-9H-[1]benzothiolo[3,2-b]pyridin-9-ide;iridium
CID 169301369

Frequently Asked Questions

What is the IUPAC name of 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum?
The IUPAC name of 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum (CID 171419757) is 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum.
What is the SMILES notation for 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum?
The canonical SMILES for 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum is CC(=O)/C(C)=C(/C)O.CC(=O)/C(C)=C(/C)O.[Pt].[Pt].[c-]1ccc2c(oc3c(-c4cc5sc6ccccc6c5cn4)[c-]ccc32)c1-c1cc2sc3ccccc3c2cn1.
What is the InChIKey of 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum?
The InChIKey is JCVPNYMDHYIKRO-OHGDTNDOSA-N. The full InChI is InChI=1S/C34H16N2OS2.2C6H10O2.2Pt/c1-3-13-29-19(7-1)25-17-35-27(15-31(25)38-29)23-11-5-9-21-22-10-6-12-24(34(22)37-33(21)23)28-16-32-26(18-36-28)20-8-2-4-14-30(20)39-32;2*1-4(5(2)7)6(3)8;;/h1-10,13-18H;2*7H,1-3H3;;/q-2;;;;/b;2*5-4-;;.
What are the key properties of 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum?
3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum has a molecular weight of 1151.09 g/mol, XLogP of 12.90, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-([1]benzothiolo[3,2-c]pyridin-3-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]-[1]benzothiolo[3,2-c]pyridine;bis((Z)-4-hydroxy-3-methylpent-3-en-2-one);platinum is sourced from PubChem (CID 171419757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).