8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole

C28H23FN9Pt- — CID 164849095

IUPAC8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole
SMILESCc1ccc2ccc3cc(F)c(C)[c-]c3c2n1.[Pt].c1cnn(C(n2cccn2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C15H11FN.C13H12N8.Pt/c1-9-7-13-12(8-14(9)16)6-5-11-4-3-10(2)17-15(11)13;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;/h3-6,8H,1-2H3;1-12H;/q-1;;
InChIKeyATUFGJKGFXFEKV-UHFFFAOYSA-N
MW699.63 g/mol
LogP4.63
Rot. Bonds4

About 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole

8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole (PubChem CID 164849095) has the molecular formula C28H23FN9Pt- and a molecular weight of 699.63 g/mol. Its IUPAC name is 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole
PubChem CID164849095
Molecular FormulaC28H23FN9Pt-
Molecular Weight699.63 g/mol
Exact Mass699.17
IUPAC Name8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole
SMILESCc1ccc2ccc3cc(F)c(C)[c-]c3c2n1.[Pt].c1cnn(C(n2cccn2)(n2cccn2)n2cccn2)c1
InChIInChI=1S/C15H11FN.C13H12N8.Pt/c1-9-7-13-12(8-14(9)16)6-5-11-4-3-10(2)17-15(11)13;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;/h3-6,8H,1-2H3;1-12H;/q-1;;
InChIKeyATUFGJKGFXFEKV-UHFFFAOYSA-N
XLogP4.63
TPSA84.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500699.63
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole with MolForge

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Related Compounds

Disilver;bis(4-[bis(3,5-dimethylpyrazol-1-yl)methyl]pyridine);bis(trifluoromethanesulfonate)
CID 139147453
7-[4-[5-Methyl-3,4-bis([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrazol-1-yl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 139236297
2-[3-[2-(6-phenyl-2-pyridinyl)propan-2-yl]pyrazol-1-yl]-6-(trifluoromethyl)-3H-pyridin-3-ide;platinum(2+)
CID 57923646
CID 58510484
CID 58510484
2-[2-Methyl-4-(trifluoromethyl)pyrazol-2-ium-1-id-5-yl]pyridine;2-pyridin-2-ylpyridine;ruthenium(2+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58510488
Bis(1-[(2,5-difluorobenzene-6-id-1-yl)methyl]pyrazole);iridium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58567846
1-[(5-Fluoro-2-methylbenzene-6-id-1-yl)methyl]pyrazole;1-[[5-fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole;iridium(3+);2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58567849
3-Methylpyrazol-1-ide;4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide
CID 58711204
4-Methyl-2-(4-methyl-2-pyridinyl)pyridine;3-methylpyrazol-1-ide;platinum(2+);3-(trifluoromethyl)pyrazol-1-ide
CID 58711205
bis(3,5-bis(trifluoromethyl)pyrazol-1-ide);bis(copper(1+));bis(iridium);bis(1-phenylisoquinoline);bis(3-pyridin-2-yl-4H-pyridin-4-ide)
CID 59010559
2-[3,5-Bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine;bis(1-[(2,4-difluorobenzene-6-id-1-yl)methyl]pyrazole);iridium(3+)
CID 59757578
bis(1-(4-fluorobenzene-6-id-1-yl)-3-methyl-2H-imidazol-2-ide);bis(iridium);bis(4-(trifluoromethyl)-2-[4-(trifluoromethyl)benzene-6-id-1-yl]-6-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 153425420

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole?
The IUPAC name of 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole (CID 164849095) is 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole.
What is the SMILES notation for 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole?
The canonical SMILES for 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole is Cc1ccc2ccc3cc(F)c(C)[c-]c3c2n1.[Pt].c1cnn(C(n2cccn2)(n2cccn2)n2cccn2)c1.
What is the InChIKey of 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole?
The InChIKey is ATUFGJKGFXFEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN.C13H12N8.Pt/c1-9-7-13-12(8-14(9)16)6-5-11-4-3-10(2)17-15(11)13;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;/h3-6,8H,1-2H3;1-12H;/q-1;;.
What are the key properties of 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole?
8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole has a molecular weight of 699.63 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,9-dimethyl-10H-benzo[h]quinolin-10-ide;platinum;1-[tri(pyrazol-1-yl)methyl]pyrazole is sourced from PubChem (CID 164849095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).