10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide

C186H177Ir5N15O2-10 — CID 159340130

IUPAC10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
SMILESCC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.Cc1[c-]c(-c2ccccn2)cc(C)c1C.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C29H31N2.C27H28N3.C22H20NO.C21H19N2O.C21H19N2.C17H18N.C14H14N.2C12H10N.C11H8N.5Ir/c1-31-27-19-7-6-16-24(27)29(21-11-2-3-12-21,22-13-4-5-14-22)25-17-10-15-23(28(25)31)26-18-8-9-20-30-26;1-2-11-20(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;1-3-22(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;1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-21(2)16-10-4-5-13-19(16)23(3)20-15(9-8-11-17(20)21)18-12-6-7-14-22-18;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h6-10,16-22H,2-5,11-14H2,1H3;5-9,15-21H,1-4,10-13H2;5-9,11-15H,3-4H2,1-2H3;4-8,10-14H,1-3H3;4-8,10-14H,1-3H3;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;;;;;/q10*-1;;;;;/i;;;;;;;1D3;;;;;;;
InChIKeyFKHLIIXZIXKJEU-BEOIBCTRSA-N
MW3618.67 g/mol
LogP46.95
Rot. Bonds18

About 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide

10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide (PubChem CID 159340130) has the molecular formula C186H177Ir5N15O2-10 and a molecular weight of 3618.67 g/mol. Its IUPAC name is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide.

Molecular Properties

Compound Name10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
PubChem CID159340130
Molecular FormulaC186H177Ir5N15O2-10
Molecular Weight3618.67 g/mol
Exact Mass3620.26
IUPAC Name10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
SMILESCC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.Cc1[c-]c(-c2ccccn2)cc(C)c1C.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C29H31N2.C27H28N3.C22H20NO.C21H19N2O.C21H19N2.C17H18N.C14H14N.2C12H10N.C11H8N.5Ir/c1-31-27-19-7-6-16-24(27)29(21-11-2-3-12-21,22-13-4-5-14-22)25-17-10-15-23(28(25)31)26-18-8-9-20-30-26;1-2-11-20(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;1-3-22(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;1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-21(2)16-10-4-5-13-19(16)23(3)20-15(9-8-11-17(20)21)18-12-6-7-14-22-18;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h6-10,16-22H,2-5,11-14H2,1H3;5-9,15-21H,1-4,10-13H2;5-9,11-15H,3-4H2,1-2H3;4-8,10-14H,1-3H3;4-8,10-14H,1-3H3;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;;;;;/q10*-1;;;;;/i;;;;;;;1D3;;;;;;;
InChIKeyFKHLIIXZIXKJEU-BEOIBCTRSA-N
XLogP46.95
TPSA163.56 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003618.67
LogP ≤ 546.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide?
The IUPAC name of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide (CID 159340130) is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide.
What is the SMILES notation for 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide?
The canonical SMILES for 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide is CC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CCC1(CC)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.Cc1[c-]c(-c2ccccn2)cc(C)c1C.Cc1ccnc(-c2[c-]cccc2)c1.[2H]C([2H])([2H])c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1cc(C2CCCCC2)ccc1-c1ccccn1.[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide?
The InChIKey is FKHLIIXZIXKJEU-BEOIBCTRSA-N. The full InChI is InChI=1S/C29H31N2.C27H28N3.C22H20NO.C21H19N2O.C21H19N2.C17H18N.C14H14N.2C12H10N.C11H8N.5Ir/c1-31-27-19-7-6-16-24(27)29(21-11-2-3-12-21,22-13-4-5-14-22)25-17-10-15-23(28(25)31)26-18-8-9-20-30-26;1-2-11-20(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;1-3-22(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;1-21(2,3)23-17-11-4-5-12-18(17)24-19-13-8-9-15(20(19)23)16-10-6-7-14-22-16;1-21(2)16-10-4-5-13-19(16)23(3)20-15(9-8-11-17(20)21)18-12-6-7-14-22-18;1-2-6-14(7-3-1)15-9-11-16(12-10-15)17-8-4-5-13-18-17;1-10-8-13(9-11(2)12(10)3)14-6-4-5-7-15-14;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-7-8-13-12(9-10)11-5-3-2-4-6-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;;;/h6-10,16-22H,2-5,11-14H2,1H3;5-9,15-21H,1-4,10-13H2;5-9,11-15H,3-4H2,1-2H3;4-8,10-14H,1-3H3;4-8,10-14H,1-3H3;4-5,8-11,13-14H,1-3,6-7H2;4-8H,1-3H3;2-7,9H,1H3;2-5,7-9H,1H3;1-6,8-9H;;;;;/q10*-1;;;;;/i;;;;;;;1D3;;;;;;;.
What are the key properties of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide?
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide has a molecular weight of 3618.67 g/mol, XLogP of 46.95, 18 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;2-(4-cyclohexylbenzene-6-id-1-yl)pyridine;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;5,10-dicyclopentyl-1-pyridin-2-yl-2H-phenazin-2-ide;2-(9,9-diethyl-2H-xanthen-2-id-1-yl)pyridine;pentakis(iridium);4-methyl-2-phenylpyridine;2-phenylpyridine;2-[4-(trideuteriomethyl)benzene-6-id-1-yl]pyridine;2-(3,4,5-trimethylbenzene-6-id-1-yl)pyridine;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide is sourced from PubChem (CID 159340130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).