2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum

C26H16F6NPt- — CID 59859390

IUPAC2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum
SMILESCCc1cc(-c2[c-]cc3c(c2)C(C(F)(F)F)(C(F)(F)F)c2ccccc2-3)nc2ccccc12.[Pt]
InChIInChI=1S/C26H16F6N.Pt/c1-2-15-14-23(33-22-10-6-4-7-17(15)22)16-11-12-19-18-8-3-5-9-20(18)24(21(19)13-16,25(27,28)29)26(30,31)32;/h3-10,12-14H,2H2,1H3;/q-1;
InChIKeyRAVKWPYQJIHTRP-UHFFFAOYSA-N
MW651.49 g/mol
LogP7.65
Rot. Bonds2

About 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum

2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum (PubChem CID 59859390) has the molecular formula C26H16F6NPt- and a molecular weight of 651.49 g/mol. Its IUPAC name is 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum.

Molecular Properties

Compound Name2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum
PubChem CID59859390
Molecular FormulaC26H16F6NPt-
Molecular Weight651.49 g/mol
Exact Mass651.08
IUPAC Name2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum
SMILESCCc1cc(-c2[c-]cc3c(c2)C(C(F)(F)F)(C(F)(F)F)c2ccccc2-3)nc2ccccc12.[Pt]
InChIInChI=1S/C26H16F6N.Pt/c1-2-15-14-23(33-22-10-6-4-7-17(15)22)16-11-12-19-18-8-3-5-9-20(18)24(21(19)13-16,25(27,28)29)26(30,31)32;/h3-10,12-14H,2H2,1H3;/q-1;
InChIKeyRAVKWPYQJIHTRP-UHFFFAOYSA-N
XLogP7.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.49
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

11H-Indeno[1,2-b]quinoline
CID 67485
8-Methyl-2-(2-methylphenyl)quinoline
CID 616095
9-Phenylacridine
CID 69041
2-Mesitylquinoline
CID 4193971
4-methyl-2-[(Z)-2-phenylethenyl]quinoline
CID 5758227
1-(2-Methylphenyl)-4-methyl-2,3-dihydropyrrolo[3,2-c]quinoline
CID 44366622
8-Fluoro-2-methyl-5-phenethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46225000
8-Fluoro-2-methyl-5-[2-(4-trifluoromethylphenyl)ethyl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 46225002
N,9-dimethyl-N-[2-(trifluoromethyl)quinolin-4-yl]carbazol-3-amine
CID 147817227
1-Methylacridine
CID 89973
1-(2-fluorophenyl)-4,6-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline
CID 2816010
9-Propylacridine
CID 606114

Frequently Asked Questions

What is the IUPAC name of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum?
The IUPAC name of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum (CID 59859390) is 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum.
What is the SMILES notation for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum?
The canonical SMILES for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum is CCc1cc(-c2[c-]cc3c(c2)C(C(F)(F)F)(C(F)(F)F)c2ccccc2-3)nc2ccccc12.[Pt].
What is the InChIKey of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum?
The InChIKey is RAVKWPYQJIHTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16F6N.Pt/c1-2-15-14-23(33-22-10-6-4-7-17(15)22)16-11-12-19-18-8-3-5-9-20(18)24(21(19)13-16,25(27,28)29)26(30,31)32;/h3-10,12-14H,2H2,1H3;/q-1;.
What are the key properties of 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum?
2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum has a molecular weight of 651.49 g/mol, XLogP of 7.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]-4-ethylquinoline;platinum is sourced from PubChem (CID 59859390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).