9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine

C164H127F6Ir4N11O5S-8 — CID 159039278

IUPAC9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
SMILESCC1(C(F)(F)F)c2ccccc2-c2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.Cc1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.FC(F)(F)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c3ccccc3n(C3CCCC3)c2c1-c1ccccn1
InChIInChI=1S/C27H28N3.C22H19N2.C22H20NO.C20H13F3N.C20H16NO.C18H9F3NO.C18H12NS.C17H10NO2.4Ir/c1-2-11-20(10-1)29-24-16-5-6-17-25(24)30(21-12-3-4-13-21)27-22(14-9-18-26(27)29)23-15-7-8-19-28-23;1-2-9-16(8-1)24-21-14-4-3-10-17(21)18-11-7-12-19(22(18)24)20-13-5-6-15-23-20;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-19(20(21,22)23)16-10-3-2-7-13(16)14-8-6-9-15(18(14)19)17-11-4-5-12-24-17;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;19-18(20,21)11-8-9-22-15(10-11)14-6-3-5-13-12-4-1-2-7-16(12)23-17(13)14;1-12-8-9-17-15(11-12)13-5-4-6-14(18(13)20-17)16-7-2-3-10-19-16;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;;;;/h5-9,15-21H,1-4,10-13H2;3-7,10-11,13-16H,1-2,8-9H2;5-9,11-15H,3-4H2,1-2H3;2-8,10-12H,1H3;3-7,9-13H,1-2H3;1-5,7-10H;2-5,7-11H,1H3;1-5,7-11H;;;;/q8*-1;;;;
InChIKeyTTWYIHOOPMRUTE-UHFFFAOYSA-N
MW3246.81 g/mol
LogP44.06
Rot. Bonds13

About 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine

9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine (PubChem CID 159039278) has the molecular formula C164H127F6Ir4N11O5S-8 and a molecular weight of 3246.81 g/mol. Its IUPAC name is 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine.

Molecular Properties

Compound Name9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
PubChem CID159039278
Molecular FormulaC164H127F6Ir4N11O5S-8
Molecular Weight3246.81 g/mol
Exact Mass3247.82
IUPAC Name9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine
SMILESCC1(C(F)(F)F)c2ccccc2-c2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.Cc1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.FC(F)(F)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c3ccccc3n(C3CCCC3)c2c1-c1ccccn1
InChIInChI=1S/C27H28N3.C22H19N2.C22H20NO.C20H13F3N.C20H16NO.C18H9F3NO.C18H12NS.C17H10NO2.4Ir/c1-2-11-20(10-1)29-24-16-5-6-17-25(24)30(21-12-3-4-13-21)27-22(14-9-18-26(27)29)23-15-7-8-19-28-23;1-2-9-16(8-1)24-21-14-4-3-10-17(21)18-11-7-12-19(22(18)24)20-13-5-6-15-23-20;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-19(20(21,22)23)16-10-3-2-7-13(16)14-8-6-9-15(18(14)19)17-11-4-5-12-24-17;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;19-18(20,21)11-8-9-22-15(10-11)14-6-3-5-13-12-4-1-2-7-16(12)23-17(13)14;1-12-8-9-17-15(11-12)13-5-4-6-14(18(13)20-17)16-7-2-3-10-19-16;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;;;;/h5-9,15-21H,1-4,10-13H2;3-7,10-11,13-16H,1-2,8-9H2;5-9,11-15H,3-4H2,1-2H3;2-8,10-12H,1H3;3-7,9-13H,1-2H3;1-5,7-10H;2-5,7-11H,1H3;1-5,7-11H;;;;/q8*-1;;;;
InChIKeyTTWYIHOOPMRUTE-UHFFFAOYSA-N
XLogP44.06
TPSA164.59 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms191
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003246.81
LogP ≤ 544.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine?
The IUPAC name of 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine (CID 159039278) is 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine.
What is the SMILES notation for 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine?
The canonical SMILES for 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine is CC1(C(F)(F)F)c2ccccc2-c2cc[c-]c(-c3ccccn3)c21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.Cc1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.FC(F)(F)c1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.[c-]1ccc2c3ccccc3n(C3CCCC3)c2c1-c1ccccn1.
What is the InChIKey of 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine?
The InChIKey is TTWYIHOOPMRUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N3.C22H19N2.C22H20NO.C20H13F3N.C20H16NO.C18H9F3NO.C18H12NS.C17H10NO2.4Ir/c1-2-11-20(10-1)29-24-16-5-6-17-25(24)30(21-12-3-4-13-21)27-22(14-9-18-26(27)29)23-15-7-8-19-28-23;1-2-9-16(8-1)24-21-14-4-3-10-17(21)18-11-7-12-19(22(18)24)20-13-5-6-15-23-20;1-3-22(4-2)17-11-5-6-13-19(17)24-20-14-9-10-16(21(20)22)18-12-7-8-15-23-18;1-19(20(21,22)23)16-10-3-2-7-13(16)14-8-6-9-15(18(14)19)17-11-4-5-12-24-17;1-20(2)15-9-3-4-11-17(15)22-18-12-7-8-14(19(18)20)16-10-5-6-13-21-16;19-18(20,21)11-8-9-22-15(10-11)14-6-3-5-13-12-4-1-2-7-16(12)23-17(13)14;1-12-8-9-17-15(11-12)13-5-4-6-14(18(13)20-17)16-7-2-3-10-19-16;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;;;;/h5-9,15-21H,1-4,10-13H2;3-7,10-11,13-16H,1-2,8-9H2;5-9,11-15H,3-4H2,1-2H3;2-8,10-12H,1H3;3-7,9-13H,1-2H3;1-5,7-10H;2-5,7-11H,1H3;1-5,7-11H;;;;/q8*-1;;;;.
What are the key properties of 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine?
9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine has a molecular weight of 3246.81 g/mol, XLogP of 44.06, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-1-pyridin-2-yl-2H-carbazol-2-ide;2-(3H-dibenzofuran-3-id-4-yl)-4-(trifluoromethyl)pyridine;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;tetrakis(iridium);2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-[9-methyl-9-(trifluoromethyl)-2H-fluoren-2-id-1-yl]pyridine is sourced from PubChem (CID 159039278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).