10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide

C163H166Ir5N15O12-5 — CID 158788843

IUPAC10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);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.Cc1nc(C(=O)O)c(C)c(C)c1C.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1
InChIInChI=1S/C29H31N2.C27H28N3.C22H20NO.C21H19N2O.C21H19N2.C11H13NO2.2C10H13NO2.2C6H5NO2.5Ir/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;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;2*1-5-6(2)8(4)11-9(7(5)3)10(12)13;2*8-6(9)5-3-1-2-4-7-5;;;;;/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;5-8H,1-4H2,(H,13,14);2*1-4H3,(H,12,13);2*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;;
InChIKeyRIVQFIANLUQDOO-UHFFFAOYSA-N
MW3488.30 g/mol
LogP38.64
Rot. Bonds17

About 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide

10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide (PubChem CID 158788843) has the molecular formula C163H166Ir5N15O12-5 and a molecular weight of 3488.30 g/mol. Its IUPAC name is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);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;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
PubChem CID158788843
Molecular FormulaC163H166Ir5N15O12-5
Molecular Weight3488.30 g/mol
Exact Mass3490.10
IUPAC Name10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);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.Cc1nc(C(=O)O)c(C)c(C)c1C.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1
InChIInChI=1S/C29H31N2.C27H28N3.C22H20NO.C21H19N2O.C21H19N2.C11H13NO2.2C10H13NO2.2C6H5NO2.5Ir/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;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;2*1-5-6(2)8(4)11-9(7(5)3)10(12)13;2*8-6(9)5-3-1-2-4-7-5;;;;;/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;5-8H,1-4H2,(H,13,14);2*1-4H3,(H,12,13);2*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;;
InChIKeyRIVQFIANLUQDOO-UHFFFAOYSA-N
XLogP38.64
TPSA350.06 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003488.30
LogP ≤ 538.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

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;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);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;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide (CID 158788843) is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);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;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);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;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);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.Cc1nc(C(=O)O)c(C)c(C)c1C.Cc1nc(C(=O)O)c(C)c(C)c1C.O=C(O)c1ccc(C2CCCC2)cn1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)N(C1CCCC1)c1ccccc1N2C1CCCC1.
What is the InChIKey of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide?
The InChIKey is RIVQFIANLUQDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N2.C27H28N3.C22H20NO.C21H19N2O.C21H19N2.C11H13NO2.2C10H13NO2.2C6H5NO2.5Ir/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;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;2*1-5-6(2)8(4)11-9(7(5)3)10(12)13;2*8-6(9)5-3-1-2-4-7-5;;;;;/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;5-8H,1-4H2,(H,13,14);2*1-4H3,(H,12,13);2*1-4H,(H,8,9);;;;;/q5*-1;;;;;;;;;;.
What are the key properties of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide?
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide has a molecular weight of 3488.30 g/mol, XLogP of 38.64, 17 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;5-cyclopentylpyridine-2-carboxylic acid;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);bis(pyridine-2-carboxylic acid);bis(3,4,5,6-tetramethylpyridine-2-carboxylic acid);9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide is sourced from PubChem (CID 158788843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).