2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)

C30H18BiF3N2OPt — CID 153421598

IUPAC2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)
SMILESCc1ccnc([Bi]2c3[c-]c(-c4[c-]c(Oc5ncccc5C(F)(F)F)ccc4)ccc3-c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C24H12F3NO.C6H6N.Bi.Pt/c25-24(26,27)22-10-5-15-28-23(22)29-21-9-4-8-20(16-21)19-13-11-18(12-14-19)17-6-2-1-3-7-17;1-6-2-4-7-5-3-6;;/h1-6,8-11,13,15H;2-4H,1H3;;/q-2;;;+2
InChIKeyZUSWYCQJKOKGRL-UHFFFAOYSA-N
MW883.54 g/mol
LogP5.36
Rot. Bonds4

About 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)

2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) (PubChem CID 153421598) has the molecular formula C30H18BiF3N2OPt and a molecular weight of 883.54 g/mol. Its IUPAC name is 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+).

Molecular Properties

Compound Name2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)
PubChem CID153421598
Molecular FormulaC30H18BiF3N2OPt
Molecular Weight883.54 g/mol
Exact Mass883.08
IUPAC Name2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)
SMILESCc1ccnc([Bi]2c3[c-]c(-c4[c-]c(Oc5ncccc5C(F)(F)F)ccc4)ccc3-c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C24H12F3NO.C6H6N.Bi.Pt/c25-24(26,27)22-10-5-15-28-23(22)29-21-9-4-8-20(16-21)19-13-11-18(12-14-19)17-6-2-1-3-7-17;1-6-2-4-7-5-3-6;;/h1-6,8-11,13,15H;2-4H,1H3;;/q-2;;;+2
InChIKeyZUSWYCQJKOKGRL-UHFFFAOYSA-N
XLogP5.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.54
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) with MolForge

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Related Compounds

5-(1-Methyl-4-piperidinylidene)-5H-(1)benzopyrano(2,3-b)pyridine
CID 38298
7-[3-(4,4-difluoropiperidin-1-yl)propoxy]-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-2,6-naphthyridine
CID 15983839
5,5-Bis[(2-fluoro-4-pyridinyl)methyl]-5H-[1]benzopyrano[2,3-b]pyridine
CID 19606084
5-[(2-Fluoro-4-pyridinyl)methyl]-5-(pyridin-4-ylmethyl)chromeno[2,3-b]pyridine
CID 19606108
4,4-Difluorospiro[cyclohexane-1,2'-pyrano[2,3-b]pyridine]
CID 58233770
4-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine
CID 67569852
5-[(2-fluoro-4-pyridinyl)methyl]-5H-chromeno[2,3-b]pyridine
CID 67569853
2-[3-[(3-Methyl-1-pyridin-3-ylpiperidin-4-ylidene)methyl]phenoxy]-5-(trifluoromethyl)pyridine
CID 69809791
2-[4-(6,7-dihydro-3H-inden-1-yl)phenoxy]-5-(trifluoromethyl)pyridine
CID 70202217
2-[3-[1-(1-Pyridin-3-ylpiperidin-4-ylidene)ethyl]phenoxy]-5-(trifluoromethyl)pyridine
CID 91100499
2-[4-(1,1-Difluoroethyl)-2-fluorophenoxy]-3-(4-methylpyridin-3-yl)pyridine
CID 126714411
3-(4-Methylpyridin-3-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
CID 126714519

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)?
The IUPAC name of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) (CID 153421598) is 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+).
What is the SMILES notation for 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)?
The canonical SMILES for 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) is Cc1ccnc([Bi]2c3[c-]c(-c4[c-]c(Oc5ncccc5C(F)(F)F)ccc4)ccc3-c3ccccc32)c1.[Pt+2].
What is the InChIKey of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)?
The InChIKey is ZUSWYCQJKOKGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F3NO.C6H6N.Bi.Pt/c25-24(26,27)22-10-5-15-28-23(22)29-21-9-4-8-20(16-21)19-13-11-18(12-14-19)17-6-2-1-3-7-17;1-6-2-4-7-5-3-6;;/h1-6,8-11,13,15H;2-4H,1H3;;/q-2;;;+2.
What are the key properties of 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+)?
2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) has a molecular weight of 883.54 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-3-(trifluoromethyl)pyridine;platinum(2+) is sourced from PubChem (CID 153421598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).