6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)

C30H17F3N2OPtS — CID 165167970

IUPAC6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)
SMILESCc1cc2c([c-]c(-c3ccc(C(F)(F)F)c(Oc4cccc(-c5[c-]cccc5)n4)n3)c3ccccc32)s1.[Pt+2]
InChIInChI=1S/C30H17F3N2OS.Pt/c1-18-16-23-21-11-6-5-10-20(21)22(17-27(23)37-18)26-15-14-24(30(31,32)33)29(35-26)36-28-13-7-12-25(34-28)19-8-3-2-4-9-19;/h2-8,10-16H,1H3;/q-2;+2
InChIKeyRQKJNZMXJOCUNL-UHFFFAOYSA-N
MW705.62 g/mol
LogP8.90
Rot. Bonds4

About 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)

6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+) (PubChem CID 165167970) has the molecular formula C30H17F3N2OPtS and a molecular weight of 705.62 g/mol. Its IUPAC name is 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+).

Molecular Properties

Compound Name6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)
PubChem CID165167970
Molecular FormulaC30H17F3N2OPtS
Molecular Weight705.62 g/mol
Exact Mass705.07
IUPAC Name6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)
SMILESCc1cc2c([c-]c(-c3ccc(C(F)(F)F)c(Oc4cccc(-c5[c-]cccc5)n4)n3)c3ccccc32)s1.[Pt+2]
InChIInChI=1S/C30H17F3N2OS.Pt/c1-18-16-23-21-11-6-5-10-20(21)22(17-27(23)37-18)26-15-14-24(30(31,32)33)29(35-26)36-28-13-7-12-25(34-28)19-8-3-2-4-9-19;/h2-8,10-16H,1H3;/q-2;+2
InChIKeyRQKJNZMXJOCUNL-UHFFFAOYSA-N
XLogP8.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.62
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;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

2-[Fluoro-bis(6-thiophen-2-yloxy-2-pyridinyl)methyl]-6-thiophen-2-yloxypyridine
CID 58107068
9-[4-[2,6-di(propan-2-yl)phenyl]-6-[[6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-pyridinyl]-1H-carbazol-1-ide;platinum(2+)
CID 165168076
4-Methyl-2-(5-methylthiophen-2-yl)oxy-6-[4-(trifluoromethyl)phenyl]pyridine
CID 54294778
6-(2-Methylbenzo[e][1]benzothiol-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine
CID 165167971
3-Phenyl-2-phenyl-6-[(5-phenyl-6-phenyl-2-pyridinyl)oxy]pyridine;platinum(2+)
CID 57739621
2-[1-[3-[(Z)-but-1-enyl]-1-benzothiophen-2-yl]ethenyl]-6-[[6-(3-methyldibenzothiophen-4-yl)-2-pyridinyl]oxy]pyridine
CID 118081913
2-(2H-dibenzothiophen-2-id-3-yl)-6-[[6-(2H-dibenzothiophen-2-id-3-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)
CID 145840046
2-(3H-dibenzothiophen-3-id-2-yl)-6-[[6-(3H-dibenzothiophen-3-id-2-yl)-2-pyridinyl]oxy]pyridine;platinum(2+)
CID 145840081
7-[6-[(6-phenyl-2-pyridinyl)oxy]-2-pyridinyl]-6H-[1]benzothiolo[2,3-c]pyridin-6-ide;platinum(2+)
CID 145840095
2-(3H-dibenzothiophen-3-id-2-yl)-6-[(6-phenyl-2-pyridinyl)oxy]pyridine;platinum(2+)
CID 145840097
2-(3H-dibenzothiophen-3-id-4-yl)-6-[[6-(3H-dibenzothiophen-3-id-4-yl)-4-propan-2-yl-2-pyridinyl]oxy]-4-propan-2-ylpyridine;platinum(2+)
CID 145840099
2-(2H-dibenzothiophen-2-id-3-yl)-6-[(6-phenyl-2-pyridinyl)oxy]pyridine;platinum(2+)
CID 145840143

Frequently Asked Questions

What is the IUPAC name of 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)?
The IUPAC name of 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+) (CID 165167970) is 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+).
What is the SMILES notation for 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)?
The canonical SMILES for 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+) is Cc1cc2c([c-]c(-c3ccc(C(F)(F)F)c(Oc4cccc(-c5[c-]cccc5)n4)n3)c3ccccc32)s1.[Pt+2].
What is the InChIKey of 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)?
The InChIKey is RQKJNZMXJOCUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H17F3N2OS.Pt/c1-18-16-23-21-11-6-5-10-20(21)22(17-27(23)37-18)26-15-14-24(30(31,32)33)29(35-26)36-28-13-7-12-25(34-28)19-8-3-2-4-9-19;/h2-8,10-16H,1H3;/q-2;+2.
What are the key properties of 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+)?
6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+) has a molecular weight of 705.62 g/mol, XLogP of 8.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methyl-4H-benzo[e][1]benzothiol-4-id-5-yl)-2-[(6-phenyl-2-pyridinyl)oxy]-3-(trifluoromethyl)pyridine;platinum(2+) is sourced from PubChem (CID 165167970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).