7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)

C40H24N4OPt — CID 153428782

IUPAC7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2cc(-c3ccccc3)ccn2)cc2ncccc2c1Oc1[c-]c(-c2cc(-c3ccccc3)ccn2)cc2ncccc12
InChIInChI=1S/C40H24N4O.Pt/c1-3-9-27(10-4-1)29-15-19-43-35(21-29)31-23-37-33(13-7-17-41-37)39(25-31)45-40-26-32(24-38-34(40)14-8-18-42-38)36-22-30(16-20-44-36)28-11-5-2-6-12-28;/h1-24H;/q-2;+2
InChIKeyAJJBLFVXEJUHIW-UHFFFAOYSA-N
MW771.74 g/mol
LogP9.63
Rot. Bonds6

About 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)

7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) (PubChem CID 153428782) has the molecular formula C40H24N4OPt and a molecular weight of 771.74 g/mol. Its IUPAC name is 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+).

Molecular Properties

Compound Name7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
PubChem CID153428782
Molecular FormulaC40H24N4OPt
Molecular Weight771.74 g/mol
Exact Mass771.16
IUPAC Name7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(-c2cc(-c3ccccc3)ccn2)cc2ncccc2c1Oc1[c-]c(-c2cc(-c3ccccc3)ccn2)cc2ncccc12
InChIInChI=1S/C40H24N4O.Pt/c1-3-9-27(10-4-1)29-15-19-43-35(21-29)31-23-37-33(13-7-17-41-37)39(25-31)45-40-26-32(24-38-34(40)14-8-18-42-38)36-22-30(16-20-44-36)28-11-5-2-6-12-28;/h1-24H;/q-2;+2
InChIKeyAJJBLFVXEJUHIW-UHFFFAOYSA-N
XLogP9.63
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.74
LogP ≤ 59.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide
CID 21024857
chloroplatinum(1+);8-methoxy-5,7-dipyridin-2-yl-6H-quinolin-6-ide
CID 21024870
2-[4-[(4-Butan-2-ylphenyl)methoxy]benzene-6-id-1-yl]pyridine;iridium(3+);bis(2-phenylpyridine)
CID 57599355
3-[3-[(3-Isoquinolin-3-yl-5-methoxybenzene-2-id-1-yl)methyl]-5-methoxybenzene-2-id-1-yl]isoquinoline;platinum(2+)
CID 57796312
2-(4-Methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 58352545
1-[3-[(3-Isoquinolin-1-yl-5-methoxybenzene-2-id-1-yl)methyl]-5-methoxybenzene-2-id-1-yl]isoquinoline;platinum(2+)
CID 58640796
6-[4-(4,6-Dipyridin-4-yl-2-pyridinyl)cyclohexa-1,5-dien-1-yl]-2-phenyl-2,3,4,5,7,8-hexahydro-[1,3]oxazolo[4,5-c]carbazole
CID 134390931
2-[6-[6-[5-(5,5-dimethyl-4H-1,3-oxazol-2-yl)-2-pyridinyl]-4-(4-phenylphenyl)-2-pyridinyl]-3-pyridinyl]-5,5-dimethyl-4H-1,3-oxazole
CID 135250632
4,4,5,5-Tetramethyl-2-[5-[4-(4-phenylphenyl)-6-[5-(4,4,5,5-tetramethyl-1,3-oxazol-2-yl)-3-pyridinyl]-2-pyridinyl]-3-pyridinyl]-1,3-oxazole
CID 135250634
3-[Dipyridin-3-ylmethoxy(pyridin-3-yl)methyl]pyridine
CID 141338053
2-methyl-6-[3-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]-4H-benzo[b]phosphindol-4-id-5-yl]pyridine;platinum(2+)
CID 153421426
2-methyl-6-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b]phosphindol-4-id-3-yl]benzene-2-id-1-yl]oxypyridine;platinum(2+)
CID 153421626

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The IUPAC name of 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) (CID 153428782) is 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+).
What is the SMILES notation for 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The canonical SMILES for 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) is [Pt+2].[c-]1c(-c2cc(-c3ccccc3)ccn2)cc2ncccc2c1Oc1[c-]c(-c2cc(-c3ccccc3)ccn2)cc2ncccc12.
What is the InChIKey of 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The InChIKey is AJJBLFVXEJUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O.Pt/c1-3-9-27(10-4-1)29-15-19-43-35(21-29)31-23-37-33(13-7-17-41-37)39(25-31)45-40-26-32(24-38-34(40)14-8-18-42-38)36-22-30(16-20-44-36)28-11-5-2-6-12-28;/h1-24H;/q-2;+2.
What are the key properties of 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) has a molecular weight of 771.74 g/mol, XLogP of 9.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenyl-2-pyridinyl)-5-[[7-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) is sourced from PubChem (CID 153428782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).