2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol

C90H92Ir2N4O5-4 — CID 159950896

IUPAC2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol
SMILESCC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CCO.CO.CO.Cc1cnc(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)cc1C.Cc1cnc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1C.[CH2-]C.[Ir].[Ir]
InChIInChI=1S/C22H21N.C22H20N.2C20H16NO.C2H6O.C2H5.2CH4O.2Ir/c2*1-14-12-20(23-13-15(14)2)18-10-7-9-17-16-8-5-6-11-19(16)22(3,4)21(17)18;2*1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;1-2-3;3*1-2;;/h5-13H,1-4H3;5-9,11-13H,1-4H3;2*3-9,11-13H,1-2H3;3H,2H2,1H3;1H2,2H3;2*2H,1H3;;/q;3*-1;;-1;;;;
InChIKeyLGSQKRSMBUGNKK-UHFFFAOYSA-N
MW1694.18 g/mol
LogP21.16
Rot. Bonds4

About 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol

2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol (PubChem CID 159950896) has the molecular formula C90H92Ir2N4O5-4 and a molecular weight of 1694.18 g/mol. Its IUPAC name is 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol.

Molecular Properties

Compound Name2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol
PubChem CID159950896
Molecular FormulaC90H92Ir2N4O5-4
Molecular Weight1694.18 g/mol
Exact Mass1694.63
IUPAC Name2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol
SMILESCC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CCO.CO.CO.Cc1cnc(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)cc1C.Cc1cnc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1C.[CH2-]C.[Ir].[Ir]
InChIInChI=1S/C22H21N.C22H20N.2C20H16NO.C2H6O.C2H5.2CH4O.2Ir/c2*1-14-12-20(23-13-15(14)2)18-10-7-9-17-16-8-5-6-11-19(16)22(3,4)21(17)18;2*1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;1-2-3;3*1-2;;/h5-13H,1-4H3;5-9,11-13H,1-4H3;2*3-9,11-13H,1-2H3;3H,2H2,1H3;1H2,2H3;2*2H,1H3;;/q;3*-1;;-1;;;;
InChIKeyLGSQKRSMBUGNKK-UHFFFAOYSA-N
XLogP21.16
TPSA130.71 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001694.18
LogP ≤ 521.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol?
The IUPAC name of 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol (CID 159950896) is 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol.
What is the SMILES notation for 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol?
The canonical SMILES for 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol is CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CCO.CO.CO.Cc1cnc(-c2[c-]ccc3c2C(C)(C)c2ccccc2-3)cc1C.Cc1cnc(-c2cccc3c2C(C)(C)c2ccccc2-3)cc1C.[CH2-]C.[Ir].[Ir].
What is the InChIKey of 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol?
The InChIKey is LGSQKRSMBUGNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N.C22H20N.2C20H16NO.C2H6O.C2H5.2CH4O.2Ir/c2*1-14-12-20(23-13-15(14)2)18-10-7-9-17-16-8-5-6-11-19(16)22(3,4)21(17)18;2*1-20(2)15-7-3-4-9-18(15)22-19-11-10-14(13-16(19)20)17-8-5-6-12-21-17;1-2-3;3*1-2;;/h5-13H,1-4H3;5-9,11-13H,1-4H3;2*3-9,11-13H,1-2H3;3H,2H2,1H3;1H2,2H3;2*2H,1H3;;/q;3*-1;;-1;;;;.
What are the key properties of 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol?
2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol has a molecular weight of 1694.18 g/mol, XLogP of 21.16, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethyl-2H-fluoren-2-id-1-yl)-4,5-dimethylpyridine;2-(9,9-dimethylfluoren-1-yl)-4,5-dimethylpyridine;bis(2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine);ethane;ethanol;bis(iridium);methanol is sourced from PubChem (CID 159950896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).