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

C48H48N2O5Pt2-2 — CID 171419641

IUPAC6-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
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(C)(C)c1ccc2nc(-c3[c-]ccc4c3oc3c(-c5ccc6cc(C(C)(C)C)ccc6n5)[c-]ccc34)ccc2c1.[Pt].[Pt]
InChIInChI=1S/C38H32N2O.2C5H8O2.2Pt/c1-37(2,3)25-15-19-31-23(21-25)13-17-33(39-31)29-11-7-9-27-28-10-8-12-30(36(28)41-35(27)29)34-18-14-24-22-26(38(4,5)6)16-20-32(24)40-34;2*1-4(6)3-5(2)7;;/h7-10,13-22H,1-6H3;2*3,6H,1-2H3;;/q-2;;;;/b;2*4-3-;;
InChIKeyQEWFKDNZOKWZJV-GLPMUSQESA-N
MW1123.08 g/mol
LogP12.28
Rot. Bonds4

About 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

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 (PubChem CID 171419641) has the molecular formula C48H48N2O5Pt2-2 and a molecular weight of 1123.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID171419641
Molecular FormulaC48H48N2O5Pt2-2
Molecular Weight1123.08 g/mol
Exact Mass1122.29
IUPAC Name6-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
SMILESCC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(C)(C)c1ccc2nc(-c3[c-]ccc4c3oc3c(-c5ccc6cc(C(C)(C)C)ccc6n5)[c-]ccc34)ccc2c1.[Pt].[Pt]
InChIInChI=1S/C38H32N2O.2C5H8O2.2Pt/c1-37(2,3)25-15-19-31-23(21-25)13-17-33(39-31)29-11-7-9-27-28-10-8-12-30(36(28)41-35(27)29)34-18-14-24-22-26(38(4,5)6)16-20-32(24)40-34;2*1-4(6)3-5(2)7;;/h7-10,13-22H,1-6H3;2*3,6H,1-2H3;;/q-2;;;;/b;2*4-3-;;
InChIKeyQEWFKDNZOKWZJV-GLPMUSQESA-N
XLogP12.28
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001123.08
LogP ≤ 512.28
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 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 with MolForge

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Related Compounds

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
8-[2-(3,5-ditert-butylphenyl)thieno[2,3-b]pyridin-6-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629255
4-hydroxypent-3-en-2-one;iridium;2-(2H-naphthalen-2-id-1-yl)quinoline
CID 169431906
5-(3H-dibenzofuran-3-id-4-yl)-2-(4-fluorophenyl)selenopheno[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628530
(Z)-4-hydroxypent-3-en-2-one;iridium;2-methyl-8-[2-(4-methylphenyl)thieno[3,2-b]pyridin-5-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155629187
(Z)-4-hydroxypent-3-en-2-one;iridium;2-methyl-8-[2-(2,4,6-trimethylphenyl)furo[3,2-b]pyridin-5-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
CID 155628585
8-[2-(2,6-dimethylphenyl)thieno[3,2-b]pyridin-5-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629179
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
5-(3H-dibenzofuran-3-id-4-yl)-2-[4-(2,6-dimethylphenyl)phenyl]furo[3,2-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155629230
6-(3H-dibenzofuran-3-id-4-yl)-2-(2,4,6-trimethylphenyl)furo[2,3-b]pyridine;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155628678
8-[2-(3,5-ditert-butylphenyl)furo[2,3-c]pyridin-5-yl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;(Z)-4-hydroxypent-3-en-2-one;iridium
CID 155626342
6-tert-butyl-2-(2H-naphthalen-2-id-1-yl)quinoline;1,3-dicyclohexyl-3-hydroxyprop-2-en-1-one;iridium;methane
CID 159063564

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)/C=C(/C)O.CC(=O)/C=C(/C)O.CC(C)(C)c1ccc2nc(-c3[c-]ccc4c3oc3c(-c5ccc6cc(C(C)(C)C)ccc6n5)[c-]ccc34)ccc2c1.[Pt].[Pt].
What is the InChIKey of 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?
The InChIKey is QEWFKDNZOKWZJV-GLPMUSQESA-N. The full InChI is InChI=1S/C38H32N2O.2C5H8O2.2Pt/c1-37(2,3)25-15-19-31-23(21-25)13-17-33(39-31)29-11-7-9-27-28-10-8-12-30(36(28)41-35(27)29)34-18-14-24-22-26(38(4,5)6)16-20-32(24)40-34;2*1-4(6)3-5(2)7;;/h7-10,13-22H,1-6H3;2*3,6H,1-2H3;;/q-2;;;;/b;2*4-3-;;.
What are the key properties of 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?
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 has a molecular weight of 1123.08 g/mol, XLogP of 12.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171419641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).