tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium)

C172H190F6Ir4N8O8-4 — CID 159256096

About tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium)

tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium) (PubChem CID 159256096) has the molecular formula C172H190F6Ir4N8O8-4 and a molecular weight of 3380.32 g/mol. Its IUPAC name is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium).

Molecular Properties

• Compound Name: tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium)
• PubChem CID: 159256096
• Molecular Formula: C172H190F6Ir4N8O8-4
• Molecular Weight: 3380.32 g/mol
• Exact Mass: 3381.31
• IUPAC Name: tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium)
• SMILES: CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc3c4cc(CC(C)(C)C(F)(F)F)nc5cccc(c6cccc2c63)c54)cc(C)c1.Cc1[c-]c(-c2ncc3c4cccc5nc(C)cc(c6cccc2c63)c54)cc(C)c1.Cc1[c-]c(-c2ncc3c4cccc5nc(CC(C)(C)C(F)(F)F)cc(c6cccc2c63)c54)cc(C)c1.Cc1[c-]c(-c2ncc3c4cccc5nc(CC(C)(C)C)cc(c6cccc2c63)c54)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/2C31H24F3N2.C31H27N2.C27H19N2.4C13H24O2.4Ir/c1-17-11-18(2)13-19(12-17)29-23-9-5-7-21-24-14-20(15-30(3,4)31(32,33)34)36-26-10-6-8-22(28(24)26)25(16-35-29)27(21)23;1-17-11-18(2)13-19(12-17)29-23-9-5-7-21-22-8-6-10-26-28(22)24(25(16-35-29)27(21)23)14-20(36-26)15-30(3,4)31(32,33)34;1-18-12-19(2)14-20(13-18)30-24-10-6-8-22-25-15-21(16-31(3,4)5)33-27-11-7-9-23(29(25)27)26(17-32-30)28(22)24;1-15-10-16(2)12-18(11-15)27-21-8-4-6-19-22-13-17(3)29-24-9-5-7-20(26(22)24)23(14-28-27)25(19)21;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h2*5-12,14,16H,15H2,1-4H3;6-13,15,17H,16H2,1-5H3;4-11,13-14H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1
• InChIKey: YXBSBIXAWOCTJM-UHFFFAOYSA-N
• XLogP: 48.07
• TPSA: 252.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 37
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3380.32
LogP ≤ 5	48.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium)?

The IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium) (CID 159256096) is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium).

What is the SMILES notation for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium)?

The canonical SMILES for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium) is CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.Cc1[c-]c(-c2ncc3c4cc(CC(C)(C)C(F)(F)F)nc5cccc(c6cccc2c63)c54)cc(C)c1.Cc1[c-]c(-c2ncc3c4cccc5nc(C)cc(c6cccc2c63)c54)cc(C)c1.Cc1[c-]c(-c2ncc3c4cccc5nc(CC(C)(C)C(F)(F)F)cc(c6cccc2c63)c54)cc(C)c1.Cc1[c-]c(-c2ncc3c4cccc5nc(CC(C)(C)C)cc(c6cccc2c63)c54)cc(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium)?

The InChIKey is YXBSBIXAWOCTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H24F3N2.C31H27N2.C27H19N2.4C13H24O2.4Ir/c1-17-11-18(2)13-19(12-17)29-23-9-5-7-21-24-14-20(15-30(3,4)31(32,33)34)36-26-10-6-8-22(28(24)26)25(16-35-29)27(21)23;1-17-11-18(2)13-19(12-17)29-23-9-5-7-21-22-8-6-10-26-28(22)24(25(16-35-29)27(21)23)14-20(36-26)15-30(3,4)31(32,33)34;1-18-12-19(2)14-20(13-18)30-24-10-6-8-22-25-15-21(16-31(3,4)5)33-27-11-7-9-23(29(25)27)26(17-32-30)28(22)24;1-15-10-16(2)12-18(11-15)27-21-8-4-6-19-22-13-17(3)29-24-9-5-7-20(26(22)24)23(14-28-27)25(19)21;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h2*5-12,14,16H,15H2,1-4H3;6-13,15,17H,16H2,1-5H3;4-11,13-14H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;;.

What are the key properties of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium)?

tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium) has a molecular weight of 3380.32 g/mol, XLogP of 48.07, 37 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);5-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-methyl-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene;5-(3,5-dimethylbenzene-6-id-1-yl)-17-(3,3,3-trifluoro-2,2-dimethylpropyl)-4,16-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11(19),12,14,16-decaene;tetrakis(iridium) is sourced from PubChem (CID 159256096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).