tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium)

C168H188F3Ir4N11O8-4 — CID 160685510

About tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium)

tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium) (PubChem CID 160685510) has the molecular formula C168H188F3Ir4N11O8-4 and a molecular weight of 3315.28 g/mol. Its IUPAC name is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium).

Molecular Properties

• Compound Name: tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium)
• PubChem CID: 160685510
• Molecular Formula: C168H188F3Ir4N11O8-4
• Molecular Weight: 3315.28 g/mol
• Exact Mass: 3316.31
• IUPAC Name: tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-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(-c2cc3c4cc(C)nc5cccc(c6cc(C)nc(n2)c63)c54)cc(C)c1.Cc1[c-]c(-c2cc3c4cc(CC(C)(C)C(F)(F)F)nc5cccc(c6cc(C)nc(n2)c63)c54)cc(C)c1.Cc1[c-]c(-c2cc3c4cc(CC(C)(C)C)nc5cccc(c6cc(C)nc(n2)c63)c54)cc(C)c1.Cc1[c-]c(-c2cc3c4cccc5cccc(c6cc(C)nc(n2)c63)c54)cc(C)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C31H25F3N3.C31H28N3.C27H20N3.C27H19N2.4C13H24O2.4Ir/c1-16-9-17(2)11-19(10-16)26-14-24-23-13-20(15-30(4,5)31(32,33)34)36-25-8-6-7-21(27(23)25)22-12-18(3)35-29(37-26)28(22)24;1-17-10-18(2)12-20(11-17)27-15-25-24-14-21(16-31(4,5)6)33-26-9-7-8-22(28(24)26)23-13-19(3)32-30(34-27)29(23)25;1-14-8-15(2)10-18(9-14)24-13-22-21-11-16(3)28-23-7-5-6-19(25(21)23)20-12-17(4)29-27(30-24)26(20)22;1-15-10-16(2)12-19(11-15)24-14-23-21-9-5-7-18-6-4-8-20(25(18)21)22-13-17(3)28-27(29-24)26(22)23;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-10,12-14H,15H2,1-5H3;7-11,13-15H,16H2,1-6H3;5-9,11-13H,1-4H3;4-11,13-14H,1-3H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1
• InChIKey: ZANKOIUOIOBABT-UHFFFAOYSA-N
• XLogP: 45.36
• TPSA: 290.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 35
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3315.28
LogP ≤ 5	45.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

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);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium)?

The IUPAC name of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium) (CID 160685510) is tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium).

What is the SMILES notation for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium)?

The canonical SMILES for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-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(-c2cc3c4cc(C)nc5cccc(c6cc(C)nc(n2)c63)c54)cc(C)c1.Cc1[c-]c(-c2cc3c4cc(CC(C)(C)C(F)(F)F)nc5cccc(c6cc(C)nc(n2)c63)c54)cc(C)c1.Cc1[c-]c(-c2cc3c4cc(CC(C)(C)C)nc5cccc(c6cc(C)nc(n2)c63)c54)cc(C)c1.Cc1[c-]c(-c2cc3c4cccc5cccc(c6cc(C)nc(n2)c63)c54)cc(C)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium)?

The InChIKey is ZANKOIUOIOBABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F3N3.C31H28N3.C27H20N3.C27H19N2.4C13H24O2.4Ir/c1-16-9-17(2)11-19(10-16)26-14-24-23-13-20(15-30(4,5)31(32,33)34)36-25-8-6-7-21(27(23)25)22-12-18(3)35-29(37-26)28(22)24;1-17-10-18(2)12-20(11-17)27-15-25-24-14-21(16-31(4,5)6)33-26-9-7-8-22(28(24)26)23-13-19(3)32-30(34-27)29(23)25;1-14-8-15(2)10-18(9-14)24-13-22-21-11-16(3)28-23-7-5-6-19(25(21)23)20-12-17(4)29-27(30-24)26(20)22;1-15-10-16(2)12-19(11-15)24-14-23-21-9-5-7-18-6-4-8-20(25(18)21)22-13-17(3)28-27(29-24)26(22)23;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-10,12-14H,15H2,1-5H3;7-11,13-15H,16H2,1-6H3;5-9,11-13H,1-4H3;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);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium)?

tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium) has a molecular weight of 3315.28 g/mol, XLogP of 45.36, 35 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);8-(3,5-dimethylbenzene-6-id-1-yl)-13-(2,2-dimethylpropyl)-4-methyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4,13-dimethyl-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;4-(3,5-dimethylbenzene-6-id-1-yl)-8-methyl-5,7-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(18),2,4,6,8,10(20),11,13,15(19),16-decaene;8-(3,5-dimethylbenzene-6-id-1-yl)-4-methyl-13-(3,3,3-trifluoro-2,2-dimethylpropyl)-5,7,14-triazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2(20),3,5,7,9,11,13,15,17-decaene;tetrakis(iridium) is sourced from PubChem (CID 160685510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).