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

C30H18BiF3N2OPt — CID 153421766

IUPAC2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(trifluoromethyl)pyridine;platinum(2+)
SMILESCc1ccnc([Bi]2c3[c-]c(-c4[c-]c(Oc5cc(C(F)(F)F)ccn5)ccc4)ccc3-c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C24H12F3NO.C6H6N.Bi.Pt/c25-24(26,27)21-13-14-28-23(16-21)29-22-8-4-7-20(15-22)19-11-9-18(10-12-19)17-5-2-1-3-6-17;1-6-2-4-7-5-3-6;;/h1-5,7-9,11,13-14,16H;2-4H,1H3;;/q-2;;;+2
InChIKeyUKTTYEOQULPHII-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-4-(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-4-(trifluoromethyl)pyridine;platinum(2+) (PubChem CID 153421766) 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-4-(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-4-(trifluoromethyl)pyridine;platinum(2+)
PubChem CID153421766
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-4-(trifluoromethyl)pyridine;platinum(2+)
SMILESCc1ccnc([Bi]2c3[c-]c(-c4[c-]c(Oc5cc(C(F)(F)F)ccn5)ccc4)ccc3-c3ccccc32)c1.[Pt+2]
InChIInChI=1S/C24H12F3NO.C6H6N.Bi.Pt/c25-24(26,27)21-13-14-28-23(16-21)29-22-8-4-7-20(15-22)19-11-9-18(10-12-19)17-5-2-1-3-6-17;1-6-2-4-7-5-3-6;;/h1-5,7-9,11,13-14,16H;2-4H,1H3;;/q-2;;;+2
InChIKeyUKTTYEOQULPHII-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-4-(trifluoromethyl)pyridine;platinum(2+) with MolForge

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Related Compounds

2-Methyl-4-phenyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983453
4-(2-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983454
4-(4-Fluorophenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983703
5-(1-Methyl-4-piperidinylidene)-5H-(1)benzopyrano(2,3-b)pyridine
CID 38298
4-(3-fluorophenyl)-2-methyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-2,6-naphthyridine
CID 15981914
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-Fluorophenyl)-5-pyridin-4-yl-2-(pyridin-4-ylmethoxy)pyridine
CID 21266461
2-(4-methyl-3-pyridinyl)-7-[[4-(trifluoromethyl)-2-pyridinyl]oxy]-3,4-dihydro-1H-isoquinoline
CID 66804007
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

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-4-(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-4-(trifluoromethyl)pyridine;platinum(2+) (CID 153421766) is 2-[3-[5-(4-methyl-2-pyridinyl)-4H-benzo[b][1]benzobismol-4-id-3-yl]benzene-2-id-1-yl]oxy-4-(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-4-(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-4-(trifluoromethyl)pyridine;platinum(2+) is Cc1ccnc([Bi]2c3[c-]c(-c4[c-]c(Oc5cc(C(F)(F)F)ccn5)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-4-(trifluoromethyl)pyridine;platinum(2+)?
The InChIKey is UKTTYEOQULPHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H12F3NO.C6H6N.Bi.Pt/c25-24(26,27)21-13-14-28-23(16-21)29-22-8-4-7-20(15-22)19-11-9-18(10-12-19)17-5-2-1-3-6-17;1-6-2-4-7-5-3-6;;/h1-5,7-9,11,13-14,16H;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-4-(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-4-(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-4-(trifluoromethyl)pyridine;platinum(2+) is sourced from PubChem (CID 153421766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).