tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol

About tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol (PubChem CID 158301282) has the molecular formula C114H79F9Ir4N10O4-4 and a molecular weight of 2592.80 g/mol. Its IUPAC name is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol.

Molecular Properties

Compound Name	tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol
PubChem CID	158301282
Molecular Formula	C114H79F9Ir4N10O4-4
Molecular Weight	2592.80 g/mol
Exact Mass	2594.47
IUPAC Name	tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol
SMILES	Cc1ccn(C2(O)c3ccccc3-c3ccccc32)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.OC1(c2ccccn2)c2ccccc2-c2ccccc21.OC1(n2ccc(C(F)(F)F)n2)c2ccccc2-c2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1
InChI	InChI=1S/C18H13NO.C18H15NO.C17H11F3N2O.C17H14N2O.3C11H6F2N.C11H8N.4Ir/c20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;18-17(19,20)15-9-10-22(21-15)16(23)13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;1-12-10-11-19(18-12)17(20)15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;312-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-12,20H;1-14,20H;1-10,23H;2-11,20H,1H3;31-4,6-7H;1-6,8-9H;;;;/q;;;;4*-1;;;;
InChIKey	UAUZPYLHLBBFSZ-UHFFFAOYSA-N
XLogP	24.27
TPSA	193.90 Å²
H-Bond Donors	4
H-Bond Acceptors	14
Rotatable Bonds	10
Heavy Atoms	141
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2592.80
LogP ≤ 5	24.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol?

The IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol (CID 158301282) is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol.

What is the SMILES notation for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol?

The canonical SMILES for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol is Cc1ccn(C2(O)c3ccccc3-c3ccccc32)n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.OC(c1ccccc1)(c1ccccc1)c1ccccn1.OC1(c2ccccn2)c2ccccc2-c2ccccc21.OC1(n2ccc(C(F)(F)F)n2)c2ccccc2-c2ccccc21.[Ir].[Ir].[Ir].[Ir].[c-]1ccccc1-c1ccccn1.

What is the InChIKey of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol?

The InChIKey is UAUZPYLHLBBFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO.C18H15NO.C17H11F3N2O.C17H14N2O.3C11H6F2N.C11H8N.4Ir/c20-18(17-11-5-6-12-19-17)15-9-3-1-7-13(15)14-8-2-4-10-16(14)18;20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;18-17(19,20)15-9-10-22(21-15)16(23)13-7-3-1-5-11(13)12-6-2-4-8-14(12)16;1-12-10-11-19(18-12)17(20)15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;/h1-12,20H;1-14,20H;1-10,23H;2-11,20H,1H3;3*1-4,6-7H;1-6,8-9H;;;;/q;;;;4*-1;;;;.

What are the key properties of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol?

Where does this data come from?

All data for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);diphenyl(pyridin-2-yl)methanol;tetrakis(iridium);9-(3-methylpyrazol-1-yl)fluoren-9-ol;2-phenylpyridine;9-pyridin-2-ylfluoren-9-ol;9-[3-(trifluoromethyl)pyrazol-1-yl]fluoren-9-ol is sourced from PubChem (CID 158301282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).