4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)

C40H24N4OPt — CID 153428802

IUPAC4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c(-c3cc(-c4ccccc4)ccn3)c3ccccc3n2)cc2ncccc2c1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C40H24N4O.Pt/c1-3-10-27(11-4-1)29-17-20-42-37(22-29)34-24-31(25-39-33(34)15-9-19-41-39)45-40-26-35(32-14-7-8-16-36(32)44-40)38-23-30(18-21-43-38)28-12-5-2-6-13-28;/h1-23,25H;/q-2;+2
InChIKeyCNUAVBOTDKJWMY-UHFFFAOYSA-N
MW771.74 g/mol
LogP9.63
Rot. Bonds6

About 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)

4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) (PubChem CID 153428802) has the molecular formula C40H24N4OPt and a molecular weight of 771.74 g/mol. Its IUPAC name is 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+).

Molecular Properties

Compound Name4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)
PubChem CID153428802
Molecular FormulaC40H24N4OPt
Molecular Weight771.74 g/mol
Exact Mass771.16
IUPAC Name4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c(-c3cc(-c4ccccc4)ccn3)c3ccccc3n2)cc2ncccc2c1-c1cc(-c2ccccc2)ccn1
InChIInChI=1S/C40H24N4O.Pt/c1-3-10-27(11-4-1)29-17-20-42-37(22-29)34-24-31(25-39-33(34)15-9-19-41-39)45-40-26-35(32-14-7-8-16-36(32)44-40)38-23-30(18-21-43-38)28-12-5-2-6-13-28;/h1-23,25H;/q-2;+2
InChIKeyCNUAVBOTDKJWMY-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

4-phenyl-2-[2-phenyl-5-[4-phenyl-3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-6-id-1-yl]pyridine;platinum(2+)
CID 153428928
4-phenyl-2-[4-[3-(4-phenyl-2-pyridinyl)naphthalen-1-yl]oxynaphthalen-2-yl]pyridine
CID 153428879
4-phenyl-2-(3-phenylphenyl)pyridine
CID 58028222
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
4-[3-(4-phenyl-2-pyridinyl)phenoxy]-12,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaene
CID 162146138
8-(4-phenyl-2-pyridinyl)-6-[8-(4-phenyl-2-pyridinyl)isoquinolin-6-yl]oxyisoquinoline
CID 153428933
6-[4-[3-[4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-pyridinyl]phenanthridine
CID 176819198
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(4-phenyl-2-pyridinyl)quinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(5-phenyl-2-pyridinyl)quinoline;2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(4-pyridin-4-yl-2-pyridinyl)quinoline
CID 161425046
2-(3H-dibenzofuran-3-id-4-yl)-4-phenylpyridine;iridium
CID 171576776
4-(3-phenylphenyl)-2-[4-[2-[3-[2-[4-[4-(3-phenylphenyl)-2-pyridinyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 153434672
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
2-phenyl-4-triphenylen-2-ylpyridine
CID 168743611

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)?
The IUPAC name of 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) (CID 153428802) is 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+).
What is the SMILES notation for 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)?
The canonical SMILES for 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c(-c3cc(-c4ccccc4)ccn3)c3ccccc3n2)cc2ncccc2c1-c1cc(-c2ccccc2)ccn1.
What is the InChIKey of 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)?
The InChIKey is CNUAVBOTDKJWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24N4O.Pt/c1-3-10-27(11-4-1)29-17-20-42-37(22-29)34-24-31(25-39-33(34)15-9-19-41-39)45-40-26-35(32-14-7-8-16-36(32)44-40)38-23-30(18-21-43-38)28-12-5-2-6-13-28;/h1-23,25H;/q-2;+2.
What are the key properties of 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)?
4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-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 4-(4-phenyl-2-pyridinyl)-2-[[5-(4-phenyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+) is sourced from PubChem (CID 153428802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).