bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline

C62H76N2O5Pt2-2 — CID 171419703

IUPACbis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline
SMILESCC(C)c1ccc2nc(-c3[c-]ccc4c3oc3c(-c5ccc6cc(C(C)C)ccc6n5)[c-]ccc34)ccc2c1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Pt].[Pt]
InChIInChI=1S/C36H28N2O.2C13H24O2.2Pt/c1-21(2)23-11-15-31-25(19-23)13-17-33(37-31)29-9-5-7-27-28-8-6-10-30(36(28)39-35(27)29)34-18-14-26-20-24(22(3)4)12-16-32(26)38-34;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;/h5-8,11-22H,1-4H3;2*9-11,14H,5-8H2,1-4H3;;/q-2;;;;/b;2*12-9-;;
InChIKeyGCIJTQMYGRRGQN-GSHGFVIPSA-N
MW1319.45 g/mol
LogP17.60
Rot. Bonds18

About bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline

bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline (PubChem CID 171419703) has the molecular formula C62H76N2O5Pt2-2 and a molecular weight of 1319.45 g/mol. Its IUPAC name is bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline.

Molecular Properties

Compound Namebis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline
PubChem CID171419703
Molecular FormulaC62H76N2O5Pt2-2
Molecular Weight1319.45 g/mol
Exact Mass1318.51
IUPAC Namebis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline
SMILESCC(C)c1ccc2nc(-c3[c-]ccc4c3oc3c(-c5ccc6cc(C(C)C)ccc6n5)[c-]ccc34)ccc2c1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Pt].[Pt]
InChIInChI=1S/C36H28N2O.2C13H24O2.2Pt/c1-21(2)23-11-15-31-25(19-23)13-17-33(37-31)29-9-5-7-27-28-8-6-10-30(36(28)39-35(27)29)34-18-14-26-20-24(22(3)4)12-16-32(26)38-34;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;/h5-8,11-22H,1-4H3;2*9-11,14H,5-8H2,1-4H3;;/q-2;;;;/b;2*12-9-;;
InChIKeyGCIJTQMYGRRGQN-GSHGFVIPSA-N
XLogP17.60
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001319.45
LogP ≤ 517.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline with MolForge

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Related Compounds

(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(10,10-dimethyl-2H-indeno[1,2-b][1]benzofuran-2-id-1-yl)-6-propan-2-ylquinoline;iridium
CID 168815469
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-(7-methyl-3H-dibenzofuran-3-id-4-yl)-6-propan-2-ylisoquinoline
CID 166026566
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;2-methyl-8-(2-methylthieno[3,2-b]pyridin-5-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 168828905
6-tert-butyl-2-[6-(6-tert-butylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline;bis((Z)-4-hydroxypent-3-en-2-one);platinum
CID 171419641
3-(3H-dibenzofuran-3-id-4-yl)-4-methanidylbenzo[f]quinolin-4-ium;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 156677649
4-tert-butyl-2-(6,7,8,9-tetrahydro-3H-dibenzofuran-3-id-4-yl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 170518831
(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
CID 176749047
CID 176749047
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;2-(10,10-dimethyl-8-propan-2-yl-2H-indeno[1,2-b][1]benzothiol-2-id-1-yl)-4,5,7-trimethylquinoline;iridium
CID 168815319
2-(8H-[1]benzothiolo[4,5-b][1]benzofuran-8-id-9-yl)-4-(1,1-dideuterio-2,2-dimethylpropyl)pyridine;(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium
CID 168830011
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;10-[4-[6-phenyl-3-(trideuteriomethyl)naphthalen-2-yl]-5-(trideuteriomethyl)-2-pyridinyl]-2-(trideuteriomethyl)-9H-[1]benzofuro[3,2-h]quinolin-9-ide
CID 176779339
bis(3,7-diethyl-6-hydroxynon-5-en-4-one);bis(2,6-dimethyl-8-quinazolin-4-yl-7H-[1]benzofuro[2,3-b]pyridin-7-ide);bis(4-hydroxypent-3-en-2-one);tetrakis(iridium);bis(2-methyl-8-(7-propan-2-ylquinazolin-4-yl)-7H-[1]benzofuro[2,3-b]pyridin-7-ide)
CID 160734612

Frequently Asked Questions

What is the IUPAC name of bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline?
The IUPAC name of bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline (CID 171419703) is bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline.
What is the SMILES notation for bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline?
The canonical SMILES for bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline is CC(C)c1ccc2nc(-c3[c-]ccc4c3oc3c(-c5ccc6cc(C(C)C)ccc6n5)[c-]ccc34)ccc2c1.CCC(CC)C(=O)/C=C(\O)C(CC)CC.CCC(CC)C(=O)/C=C(\O)C(CC)CC.[Pt].[Pt].
What is the InChIKey of bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline?
The InChIKey is GCIJTQMYGRRGQN-GSHGFVIPSA-N. The full InChI is InChI=1S/C36H28N2O.2C13H24O2.2Pt/c1-21(2)23-11-15-31-25(19-23)13-17-33(37-31)29-9-5-7-27-28-8-6-10-30(36(28)39-35(27)29)34-18-14-26-20-24(22(3)4)12-16-32(26)38-34;2*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;/h5-8,11-22H,1-4H3;2*9-11,14H,5-8H2,1-4H3;;/q-2;;;;/b;2*12-9-;;.
What are the key properties of bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline?
bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline has a molecular weight of 1319.45 g/mol, XLogP of 17.60, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-3,7-diethyl-6-hydroxynon-5-en-4-one);platinum;6-propan-2-yl-2-[6-(6-propan-2-ylquinolin-2-yl)-3,7-dihydrodibenzofuran-3,7-diid-4-yl]quinoline is sourced from PubChem (CID 171419703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).