10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol

C140H141Ir4N5O13-4 — CID 162274794

About 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol

10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol (PubChem CID 162274794) has the molecular formula C140H141Ir4N5O13-4 and a molecular weight of 2870.56 g/mol. Its IUPAC name is 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol.

Molecular Properties

• Compound Name: 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol
• PubChem CID: 162274794
• Molecular Formula: C140H141Ir4N5O13-4
• Molecular Weight: 2870.56 g/mol
• Exact Mass: 2871.91
• IUPAC Name: 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol
• SMILES: CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.OC(=CC(O)C1CCCCC1)C1CCCCC1.OC(=CC(O)c1ccccc1)c1ccccc1.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2
• InChI: InChI=1S/C27H23N2O.2C20H16NO.C17H10NO2.C15H26O2.2C15H14O2.C11H22O2.4Ir/c1-27(2,3)20-12-14-21(15-13-20)29-23-9-4-5-10-25(23)30-26-18-19(11-16-24(26)29)22-8-6-7-17-28-22;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;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;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h4-17H,1-3H3;3-7,9-13H,1-2H3;3-9,11-13H,1-2H3;1-5,7-11H;11-14,16-17H,1-10H2;2*1-11,14,16-17H;7-8,12-13H,1-6H3;;;;/q4*-1
• InChIKey: NNKUKXWDSBQXSU-UHFFFAOYSA-N
• XLogP: 35.29
• TPSA: 262.79 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2870.56
LogP ≤ 5	35.29
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol?

The IUPAC name of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol (CID 162274794) is 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol.

What is the SMILES notation for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol?

The canonical SMILES for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol is CC(C)(C)C(O)=CC(O)C(C)(C)C.CC(C)(C)c1ccc(N2c3ccc(-c4ccccn4)[c-]c3Oc3ccccc32)cc1.CC1(C)c2ccccc2Oc2c[c-]c(-c3ccccn3)cc21.CC1(C)c2ccccc2Oc2cc[c-]c(-c3ccccn3)c21.OC(=CC(O)C1CCCCC1)C1CCCCC1.OC(=CC(O)c1ccccc1)c1ccccc1.OC(=CC(O)c1ccccc1)c1ccccc1.[Ir].[Ir].[Ir].[Ir].[c-]1ccc2c(c1-c1ccccn1)Oc1ccccc1O2.

What is the InChIKey of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol?

The InChIKey is NNKUKXWDSBQXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N2O.2C20H16NO.C17H10NO2.C15H26O2.2C15H14O2.C11H22O2.4Ir/c1-27(2,3)20-12-14-21(15-13-20)29-23-9-4-5-10-25(23)30-26-18-19(11-16-24(26)29)22-8-6-7-17-28-22;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;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;1-2-9-15-14(8-1)19-16-10-5-6-12(17(16)20-15)13-7-3-4-11-18-13;3*16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;1-10(2,3)8(12)7-9(13)11(4,5)6;;;;/h4-17H,1-3H3;3-7,9-13H,1-2H3;3-9,11-13H,1-2H3;1-5,7-11H;11-14,16-17H,1-10H2;2*1-11,14,16-17H;7-8,12-13H,1-6H3;;;;/q4*-1;;;;;;;;.

What are the key properties of 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol?

10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol has a molecular weight of 2870.56 g/mol, XLogP of 35.29, 15 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-tert-butylphenyl)-3-pyridin-2-yl-4H-phenoxazin-4-ide;2-(2H-dibenzo-p-dioxin-2-id-1-yl)pyridine;1,3-dicyclohexylprop-1-ene-1,3-diol;2-(9,9-dimethyl-2H-xanthen-2-id-1-yl)pyridine;2-(9,9-dimethyl-3H-xanthen-3-id-2-yl)pyridine;bis(1,3-diphenylprop-1-ene-1,3-diol);tetrakis(iridium);2,2,6,6-tetramethylhept-3-ene-3,5-diol is sourced from PubChem (CID 162274794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).