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

C36H32N4OPt — CID 153428930

IUPAC7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)cc4ncccc34)c3cccnc3c2)c1.[Pt+2]
InChIInChI=1S/C36H32N4O.Pt/c1-35(2,3)25-11-15-39-29(21-25)23-17-31-27(9-7-13-37-31)33(19-23)41-34-20-24(18-32-28(34)10-8-14-38-32)30-22-26(12-16-40-30)36(4,5)6;/h7-18,21-22H,1-6H3;/q-2;+2
InChIKeyDCSJGUYLYYFKAF-UHFFFAOYSA-N
MW731.76 g/mol
LogP8.89
Rot. Bonds4

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

7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) (PubChem CID 153428930) has the molecular formula C36H32N4OPt and a molecular weight of 731.76 g/mol. Its IUPAC name is 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+).

Molecular Properties

Compound Name7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
PubChem CID153428930
Molecular FormulaC36H32N4OPt
Molecular Weight731.76 g/mol
Exact Mass731.22
IUPAC Name7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)
SMILESCC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)cc4ncccc34)c3cccnc3c2)c1.[Pt+2]
InChIInChI=1S/C36H32N4O.Pt/c1-35(2,3)25-11-15-39-29(21-25)23-17-31-27(9-7-13-37-31)33(19-23)41-34-20-24(18-32-28(34)10-8-14-38-32)30-22-26(12-16-40-30)36(4,5)6;/h7-18,21-22H,1-6H3;/q-2;+2
InChIKeyDCSJGUYLYYFKAF-UHFFFAOYSA-N
XLogP8.89
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.76
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloroplatinum(1+);8-methoxy-2-methyl-5,7-dipyridin-2-yl-6H-quinolin-6-ide
CID 21024857
2-[4-[(4-Butan-2-ylphenyl)methoxy]benzene-6-id-1-yl]pyridine;iridium(3+);bis(2-phenylpyridine)
CID 57599355
2-(4-Methoxybenzene-6-id-1-yl)-5-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(1+)
CID 58352545
5-(2,2-Dimethylpropyl)-2-phenylpyridine;iridium;2-phenyl-6-[[6-(4-pyridin-2-ylbenzene-3,6-diid-1-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)
CID 153276443
2-(3,5-Dimethylbenzene-6-id-1-yl)-3-[3-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-2-id-1-yl]pyrazine;5-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;platinum(2+)
CID 153276470
4-tert-butyl-2-[3-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]-2H-naphthalen-2-id-1-yl]pyridine;platinum(2+)
CID 153428737
4-(4-tert-butyl-2-pyridinyl)-2-[[5-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-7-yl]oxy]-3H-quinolin-3-ide;platinum(2+)
CID 153428739
3-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)
CID 153428777
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
4-tert-butyl-2-[4-[(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)oxy]-3H-naphthalen-3-id-2-yl]pyridine;platinum(2+)
CID 153428786
1-[3-[[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]oxy]benzene-2-id-1-yl]isoquinoline;platinum(2+)
CID 153428816
1-[3-tert-butyl-5-[(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)oxy]benzene-6-id-1-yl]isoquinoline;platinum(2+)
CID 153428827

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The IUPAC name of 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) (CID 153428930) is 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+).
What is the SMILES notation for 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The canonical SMILES for 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) is CC(C)(C)c1ccnc(-c2[c-]c(Oc3[c-]c(-c4cc(C(C)(C)C)ccn4)cc4ncccc34)c3cccnc3c2)c1.[Pt+2].
What is the InChIKey of 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
The InChIKey is DCSJGUYLYYFKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N4O.Pt/c1-35(2,3)25-11-15-39-29(21-25)23-17-31-27(9-7-13-37-31)33(19-23)41-34-20-24(18-32-28(34)10-8-14-38-32)30-22-26(12-16-40-30)36(4,5)6;/h7-18,21-22H,1-6H3;/q-2;+2.
What are the key properties of 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+)?
7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) has a molecular weight of 731.76 g/mol, XLogP of 8.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butyl-2-pyridinyl)-5-[[7-(4-tert-butyl-2-pyridinyl)-6H-quinolin-6-id-5-yl]oxy]-6H-quinolin-6-ide;platinum(2+) is sourced from PubChem (CID 153428930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).