2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium)

C130H118Al2Ir4N8O16-4 — CID 157216370

About 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium)

2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium) (PubChem CID 157216370) has the molecular formula C130H118Al2Ir4N8O16-4 and a molecular weight of 2871.25 g/mol. Its IUPAC name is 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium).

Molecular Properties

• Compound Name: 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium)
• PubChem CID: 157216370
• Molecular Formula: C130H118Al2Ir4N8O16-4
• Molecular Weight: 2871.25 g/mol
• Exact Mass: 2872.68
• IUPAC Name: 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium)
• SMILES: CC(C)O[Al](Oc1cccc(O[Al](OC(C)C)OC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12)OC(C)C.O=C1CCC(c2cccc(C3CCC(=O)CC3)c2-c2cnc3c4[c-]cccc4c4ccccc4n23)CC1.O=C1CCCC(=O)C1c1cccc(C2C(=O)CCCC2=O)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.O=C1OCCCC1c1cccc(C2CCCOC2=O)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C33H25N2O4.C33H29N2O2.C31H25N2O4.C21H13N2O2.4C3H7O.2Al.4Ir/c36-26-14-6-15-27(37)31(26)22-11-5-12-23(32-28(38)16-7-17-29(32)39)30(22)25-18-34-33-21-10-2-1-8-19(21)20-9-3-4-13-24(20)35(25)33;36-23-16-12-21(13-17-23)25-9-5-10-26(22-14-18-24(37)19-15-22)32(25)31-20-34-33-29-8-2-1-6-27(29)28-7-3-4-11-30(28)35(31)33;34-30-24(13-6-16-36-30)21-11-5-12-22(25-14-7-17-37-31(25)35)28(21)27-18-32-29-23-10-2-1-8-19(23)20-9-3-4-15-26(20)33(27)29;24-18-10-5-11-19(25)20(18)17-12-22-21-15-8-2-1-6-13(15)14-7-3-4-9-16(14)23(17)21;4*1-3(2)4;;;;;;/h1-5,8-9,11-13,18,31-32H,6-7,14-17H2;1-7,9-11,20-22H,12-19H2;1-5,8-9,11-12,15,18,24-25H,6-7,13-14,16-17H2;1-7,9-12,24-25H;4*3H,1-2H3;;;;;;/q8*-1;2*+3;;;;/p-2
• InChIKey: AFKXJCUUIDKSSI-UHFFFAOYSA-L
• XLogP: 26.95
• TPSA: 279.60 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 22
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2871.25
LogP ≤ 5	26.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium)?

The IUPAC name of 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium) (CID 157216370) is 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium).

What is the SMILES notation for 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium)?

The canonical SMILES for 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium) is CC(C)O[Al](Oc1cccc(O[Al](OC(C)C)OC(C)C)c1-c1cnc2c3[c-]cccc3c3ccccc3n12)OC(C)C.O=C1CCC(c2cccc(C3CCC(=O)CC3)c2-c2cnc3c4[c-]cccc4c4ccccc4n23)CC1.O=C1CCCC(=O)C1c1cccc(C2C(=O)CCCC2=O)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.O=C1OCCCC1c1cccc(C2CCCOC2=O)c1-c1cnc2c3[c-]cccc3c3ccccc3n12.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium)?

The InChIKey is AFKXJCUUIDKSSI-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H25N2O4.C33H29N2O2.C31H25N2O4.C21H13N2O2.4C3H7O.2Al.4Ir/c36-26-14-6-15-27(37)31(26)22-11-5-12-23(32-28(38)16-7-17-29(32)39)30(22)25-18-34-33-21-10-2-1-8-19(21)20-9-3-4-13-24(20)35(25)33;36-23-16-12-21(13-17-23)25-9-5-10-26(22-14-18-24(37)19-15-22)32(25)31-20-34-33-29-8-2-1-6-27(29)28-7-3-4-11-30(28)35(31)33;34-30-24(13-6-16-36-30)21-11-5-12-22(25-14-7-17-37-31(25)35)28(21)27-18-32-29-23-10-2-1-8-19(23)20-9-3-4-15-26(20)33(27)29;24-18-10-5-11-19(25)20(18)17-12-22-21-15-8-2-1-6-13(15)14-7-3-4-9-16(14)23(17)21;4*1-3(2)4;;;;;;/h1-5,8-9,11-13,18,31-32H,6-7,14-17H2;1-7,9-11,20-22H,12-19H2;1-5,8-9,11-12,15,18,24-25H,6-7,13-14,16-17H2;1-7,9-12,24-25H;4*3H,1-2H3;;;;;;/q8*-1;2*+3;;;;/p-2.

What are the key properties of 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium)?

2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium) has a molecular weight of 2871.25 g/mol, XLogP of 26.95, 22 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(2,6-dioxocyclohexyl)-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenyl]cyclohexane-1,3-dione;[3-di(propan-2-yloxy)alumanyloxy-2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)phenoxy]-di(propan-2-yloxy)alumane;4-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(4-oxocyclohexyl)phenyl]cyclohexan-1-one;3-[2-(12H-imidazo[1,2-f]phenanthridin-12-id-3-yl)-3-(2-oxooxan-3-yl)phenyl]oxan-2-one;tetrakis(iridium) is sourced from PubChem (CID 157216370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).