10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide

C138H177Ir4N9O9-4 — CID 162280770

IUPAC10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
SMILESCC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CC(C)C(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CC(O)=CC(C)O.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.OC(=CC(O)C1CCCC1)C1CCCC1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H31N2.C21H19N2O.C21H19N2.C19H16N3.C17H34O2.C13H22O2.C13H26O2.C5H10O2.4Ir/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;1-21(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;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;14-12(10-5-1-2-6-10)9-13(15)11-7-3-4-8-11;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-4(6)3-5(2)7;;;;/h6-10,16-22H,2-5,11-14H2,1H3;4-8,10-14H,1-3H3;4-8,10-14H,1-3H3;3-9,11-13H,1-2H3;9-14,16-19H,1-8H3;9-12,14-15H,1-8H2;9-12,14-15H,5-8H2,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyCDWDPYMOQPAISE-UHFFFAOYSA-N
MW2874.86 g/mol
LogP34.54
Rot. Bonds24

About 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide

10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide (PubChem CID 162280770) has the molecular formula C138H177Ir4N9O9-4 and a molecular weight of 2874.86 g/mol. Its IUPAC name is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;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;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
PubChem CID162280770
Molecular FormulaC138H177Ir4N9O9-4
Molecular Weight2874.86 g/mol
Exact Mass2876.22
IUPAC Name10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide
SMILESCC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CC(C)C(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CC(O)=CC(C)O.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.OC(=CC(O)C1CCCC1)C1CCCC1.[Ir].[Ir].[Ir].[Ir]
InChIInChI=1S/C29H31N2.C21H19N2O.C21H19N2.C19H16N3.C17H34O2.C13H22O2.C13H26O2.C5H10O2.4Ir/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;1-21(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;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;14-12(10-5-1-2-6-10)9-13(15)11-7-3-4-8-11;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-4(6)3-5(2)7;;;;/h6-10,16-22H,2-5,11-14H2,1H3;4-8,10-14H,1-3H3;4-8,10-14H,1-3H3;3-9,11-13H,1-2H3;9-14,16-19H,1-8H3;9-12,14-15H,1-8H2;9-12,14-15H,5-8H2,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;
InChIKeyCDWDPYMOQPAISE-UHFFFAOYSA-N
XLogP34.54
TPSA238.83 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002874.86
LogP ≤ 534.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;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;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;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;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide (CID 162280770) is 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;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;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;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;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide is CC(C)(C)N1c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.CC(C)C(C(O)=CC(O)C(C(C)C)C(C)C)C(C)C.CC(O)=CC(C)O.CCC(CC)C(O)=CC(O)C(CC)CC.CN1c2c[c-]c(-c3ccccn3)cc2N(C)c2ccccc21.CN1c2ccccc2C(C)(C)c2cc[c-]c(-c3ccccn3)c21.CN1c2ccccc2C(C2CCCC2)(C2CCCC2)c2cc[c-]c(-c3ccccn3)c21.OC(=CC(O)C1CCCC1)C1CCCC1.[Ir].[Ir].[Ir].[Ir].
What is the InChIKey of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide?
The InChIKey is CDWDPYMOQPAISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N2.C21H19N2O.C21H19N2.C19H16N3.C17H34O2.C13H22O2.C13H26O2.C5H10O2.4Ir/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;1-21(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;1-21-16-8-3-4-9-17(16)22(2)19-13-14(10-11-18(19)21)15-7-5-6-12-20-15;1-10(2)16(11(3)4)14(18)9-15(19)17(12(5)6)13(7)8;14-12(10-5-1-2-6-10)9-13(15)11-7-3-4-8-11;1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;1-4(6)3-5(2)7;;;;/h6-10,16-22H,2-5,11-14H2,1H3;4-8,10-14H,1-3H3;4-8,10-14H,1-3H3;3-9,11-13H,1-2H3;9-14,16-19H,1-8H3;9-12,14-15H,1-8H2;9-12,14-15H,5-8H2,1-4H3;3-4,6-7H,1-2H3;;;;/q4*-1;;;;;;;;.
What are the key properties of 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide?
10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide has a molecular weight of 2874.86 g/mol, XLogP of 34.54, 24 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butyl-1-pyridin-2-yl-2H-phenoxazin-2-ide;9,9-dicyclopentyl-10-methyl-4-pyridin-2-yl-3H-acridin-3-ide;1,3-dicyclopentylprop-1-ene-1,3-diol;3,7-diethylnon-4-ene-4,6-diol;2,8-dimethyl-3,7-di(propan-2-yl)non-4-ene-4,6-diol;5,10-dimethyl-3-pyridin-2-yl-2H-phenazin-2-ide;tetrakis(iridium);pent-2-ene-2,4-diol;9,9,10-trimethyl-4-pyridin-2-yl-3H-acridin-3-ide is sourced from PubChem (CID 162280770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).