iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline

C30H16F6IrN- — CID 59859319

IUPACiridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
SMILESFC(F)(F)c1ccc2c(c1)C(c1ccccc1)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.[Ir]
InChIInChI=1S/C30H16F6N.Ir/c31-29(32,33)21-12-14-23-22-13-10-19(27-15-11-18-6-4-5-9-26(18)37-27)16-24(22)28(25(23)17-21,30(34,35)36)20-7-2-1-3-8-20;/h1-9,11-17H;/q-1;
InChIKeySUNDPRUAKBMWFS-UHFFFAOYSA-N
MW696.67 g/mol
LogP8.60
Rot. Bonds2

About iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline

iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline (PubChem CID 59859319) has the molecular formula C30H16F6IrN- and a molecular weight of 696.67 g/mol. Its IUPAC name is iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline.

Molecular Properties

Compound Nameiridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
PubChem CID59859319
Molecular FormulaC30H16F6IrN-
Molecular Weight696.67 g/mol
Exact Mass697.08
IUPAC Nameiridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline
SMILESFC(F)(F)c1ccc2c(c1)C(c1ccccc1)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.[Ir]
InChIInChI=1S/C30H16F6N.Ir/c31-29(32,33)21-12-14-23-22-13-10-19(27-15-11-18-6-4-5-9-26(18)37-27)16-24(22)28(25(23)17-21,30(34,35)36)20-7-2-1-3-8-20;/h1-9,11-17H;/q-1;
InChIKeySUNDPRUAKBMWFS-UHFFFAOYSA-N
XLogP8.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.67
LogP ≤ 58.60
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

Benz(c)acridine
CID 9181
7-Methylbenz(c)acridine
CID 76861
7,10-Dimethylbenz(c)acridine
CID 16936
2-Mesitylquinoline
CID 4193971
2-Phenylbenzo(h)quinoline
CID 3669703
N-cyclohexyl-3-methylindeno[1,2-b]quinolin-11-imine
CID 1246657
N-cyclohexyl-2-methylindeno[1,2-b]quinolin-11-imine
CID 1910833
1'-[(9-ethyl-9H-carbazol-3-yl)methyl]spiro[indene-1,4'-piperidine]
CID 30979231
3,4,8-Tris(4-methylphenyl)-2-(trifluoromethyl)quinoline
CID 145950387
3,4,8-Triphenyl-2-(trifluoromethyl)quinoline
CID 145953494
3,4,8-Tris(4-fluorophenyl)-2-(trifluoromethyl)quinoline
CID 145961405
4-(Difluoromethyl)-6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline
CID 162649846

Frequently Asked Questions

What is the IUPAC name of iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The IUPAC name of iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline (CID 59859319) is iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline.
What is the SMILES notation for iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The canonical SMILES for iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline is FC(F)(F)c1ccc2c(c1)C(c1ccccc1)(C(F)(F)F)c1cc(-c3ccc4ccccc4n3)[c-]cc1-2.[Ir].
What is the InChIKey of iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
The InChIKey is SUNDPRUAKBMWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H16F6N.Ir/c31-29(32,33)21-12-14-23-22-13-10-19(27-15-11-18-6-4-5-9-26(18)37-27)16-24(22)28(25(23)17-21,30(34,35)36)20-7-2-1-3-8-20;/h1-9,11-17H;/q-1;.
What are the key properties of iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline?
iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline has a molecular weight of 696.67 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-[9-phenyl-7,9-bis(trifluoromethyl)-3H-fluoren-3-id-2-yl]quinoline is sourced from PubChem (CID 59859319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).