carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone

C58H41F6Ir3N3O3-6 — CID 162131773

About carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone

carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone (PubChem CID 162131773) has the molecular formula C58H41F6Ir3N3O3-6 and a molecular weight of 1518.62 g/mol. Its IUPAC name is carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone
• PubChem CID: 162131773
• Molecular Formula: C58H41F6Ir3N3O3-6
• Molecular Weight: 1518.62 g/mol
• Exact Mass: 1520.20
• IUPAC Name: carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone
• SMILES: O=C(c1ccc(F)cc1)c1ccc(-c2[c-]cccc2)nc1.O=C(c1ccccc1)c1ccc(-c2[c-]c(F)cc(F)c2)nc1.O=C(c1ccccc1)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C19H11F3NO.C18H10F2NO.C18H11FNO.3CH3.3Ir/c20-19(21,22)16-9-6-13(7-10-16)17-11-8-15(12-23-17)18(24)14-4-2-1-3-5-14;19-15-8-14(9-16(20)10-15)17-7-6-13(11-21-17)18(22)12-4-2-1-3-5-12;19-16-9-6-14(7-10-16)18(21)15-8-11-17(20-12-15)13-4-2-1-3-5-13;;;;;;/h1-6,8-12H;1-8,10-11H;1-4,6-12H;3*1H3;;;/q6*-1
• InChIKey: APYJFJNMEZHCHS-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 89.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1518.62
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone?

The IUPAC name of carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone (CID 162131773) is carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone.

What is the SMILES notation for carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone?

The canonical SMILES for carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone is O=C(c1ccc(F)cc1)c1ccc(-c2[c-]cccc2)nc1.O=C(c1ccccc1)c1ccc(-c2[c-]c(F)cc(F)c2)nc1.O=C(c1ccccc1)c1ccc(-c2[c-]cc(C(F)(F)F)cc2)nc1.[CH3-].[CH3-].[CH3-].[Ir].[Ir].[Ir].

What is the InChIKey of carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone?

The InChIKey is APYJFJNMEZHCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3NO.C18H10F2NO.C18H11FNO.3CH3.3Ir/c20-19(21,22)16-9-6-13(7-10-16)17-11-8-15(12-23-17)18(24)14-4-2-1-3-5-14;19-15-8-14(9-16(20)10-15)17-7-6-13(11-21-17)18(22)12-4-2-1-3-5-12;19-16-9-6-14(7-10-16)18(21)15-8-11-17(20-12-15)13-4-2-1-3-5-13;;;;;;/h1-6,8-12H;1-8,10-11H;1-4,6-12H;3*1H3;;;/q6*-1;;;.

What are the key properties of carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone?

carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone has a molecular weight of 1518.62 g/mol, XLogP of 14.12, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[6-(3,5-difluorobenzene-6-id-1-yl)-3-pyridinyl]-phenylmethanone;(4-fluorophenyl)-(6-phenyl-3-pyridinyl)methanone;tris(iridium);phenyl-[6-[4-(trifluoromethyl)benzene-6-id-1-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 162131773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).