7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+)

C33H31N3OPt — CID 153429069

IUPAC7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-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)ccc2)c1.[Pt+2]
InChIInChI=1S/C33H31N3O.Pt/c1-32(2,3)24-12-15-35-28(20-24)22-9-7-10-26(17-22)37-31-19-23(18-30-27(31)11-8-14-34-30)29-21-25(13-16-36-29)33(4,5)6;/h7-16,18,20-21H,1-6H3;/q-2;+2
InChIKeyNOMSGIJDFZKWNP-UHFFFAOYSA-N
MW680.71 g/mol
LogP8.34
Rot. Bonds4

About 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+)

7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+) (PubChem CID 153429069) has the molecular formula C33H31N3OPt and a molecular weight of 680.71 g/mol. Its IUPAC name is 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+).

Molecular Properties

Compound Name7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+)
PubChem CID153429069
Molecular FormulaC33H31N3OPt
Molecular Weight680.71 g/mol
Exact Mass680.21
IUPAC Name7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-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)ccc2)c1.[Pt+2]
InChIInChI=1S/C33H31N3O.Pt/c1-32(2,3)24-12-15-35-28(20-24)22-9-7-10-26(17-22)37-31-19-23(18-30-27(31)11-8-14-34-30)29-21-25(13-16-36-29)33(4,5)6;/h7-16,18,20-21H,1-6H3;/q-2;+2
InChIKeyNOMSGIJDFZKWNP-UHFFFAOYSA-N
XLogP8.34
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.71
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

7-Methyl-4,6-dipyridin-2-yl-1,3-dihydrofuro[3,4-c]pyridine
CID 101444903
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
2-(2,4-Difluorobenzene-6-id-1-yl)-6-[2-(3-pyridin-2-yloxybenzene-2-id-1-yl)propan-2-yl]pyridine;platinum(2+)
CID 58709031
2-[3-[(4-Ethenylphenyl)methoxy]benzene-6-id-1-yl]pyridine;iridium;2-(4-methylbenzene-6-id-1-yl)pyridine
CID 59449542
1'-Benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]
CID 118174295
1-Benzyl-3',4'-dimethylidenespiro[piperidine-4,1'-pyrrolo[2,1-c][1,4]oxazine]
CID 123306316
1-[9-ethyl-9-(3-pyridin-2-yloxybenzene-2-id-1-yl)-1H-fluoren-1-id-2-yl]isoquinoline;platinum(2+)
CID 140601165
10H-benzo[h]quinolin-10-ide;iridium;4-phenyl-2-(1,1,3,3-tetramethyl-6H-2-benzofuran-6-id-5-yl)pyridine
CID 140677066
3-(Methoxymethyl)-2-methyl-5-[4-(2-methyl-3-pyridinyl)-2-pyridinyl]pyridine
CID 146279920
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

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+)?
The IUPAC name of 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+) (CID 153429069) is 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+).
What is the SMILES notation for 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+)?
The canonical SMILES for 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-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)ccc2)c1.[Pt+2].
What is the InChIKey of 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+)?
The InChIKey is NOMSGIJDFZKWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O.Pt/c1-32(2,3)24-12-15-35-28(20-24)22-9-7-10-26(17-22)37-31-19-23(18-30-27(31)11-8-14-34-30)29-21-25(13-16-36-29)33(4,5)6;/h7-16,18,20-21H,1-6H3;/q-2;+2.
What are the key properties of 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+)?
7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+) has a molecular weight of 680.71 g/mol, XLogP of 8.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butyl-2-pyridinyl)-5-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-6H-quinolin-6-ide;platinum(2+) is sourced from PubChem (CID 153429069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).