tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide

C134H150Ir4N20O10-8 — CID 159012902

About tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide

tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide (PubChem CID 159012902) has the molecular formula C134H150Ir4N20O10-8 and a molecular weight of 2969.67 g/mol. Its IUPAC name is tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide.

Molecular Properties

• Compound Name: tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide
• PubChem CID: 159012902
• Molecular Formula: C134H150Ir4N20O10-8
• Molecular Weight: 2969.67 g/mol
• Exact Mass: 2971.04
• IUPAC Name: tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C[N-]Cc1ccccn1)c1cc2ccccc2c(-c2[n-]nc3c2C2CCC3(C)C2(C)C)n1.CC12CCC(c3c1n[n-]c3-c1cccc(OC[N-]Cc3ccccn3)n1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(C(C[N-]Cc3ccccn3)c3ccccc3)cc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(OC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C34H33N5.C30H33N5.C27H27N5O.C23H25N5O.4C5H8O2.4Ir/c1-33(2)27-16-17-34(33,3)32-29(27)31(38-39-32)30-25-15-8-7-13-23(25)19-28(37-30)26(22-11-5-4-6-12-22)21-35-20-24-14-9-10-18-36-24;1-28(2,18-31-17-20-11-8-9-15-32-20)23-16-19-10-6-7-12-21(19)25(33-23)26-24-22-13-14-30(5,29(22,3)4)27(24)35-34-26;1-26(2)20-11-12-27(26,3)25-22(20)24(31-32-25)23-19-10-5-4-8-17(19)14-21(30-23)33-16-28-15-18-9-6-7-13-29-18;1-22(2)16-10-11-23(22,3)21-19(16)20(27-28-21)17-8-6-9-18(26-17)29-14-24-13-15-7-4-5-12-25-15;4*1-4(6)3-5(2)7;;;;/h4-15,18-19,26-27H,16-17,20-21H2,1-3H3;6-12,15-16,22H,13-14,17-18H2,1-5H3;4-10,13-14,20H,11-12,15-16H2,1-3H3;4-9,12,16H,10-11,13-14H2,1-3H3;4*3,6H,1-2H3;;;;/q4*-2
• InChIKey: SOLPVVKBAIICAS-UHFFFAOYSA-N
• XLogP: 28.66
• TPSA: 435.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 29
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2969.67
LogP ≤ 5	28.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide?

The IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide (CID 159012902) is tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide.

What is the SMILES notation for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide?

The canonical SMILES for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)(C[N-]Cc1ccccn1)c1cc2ccccc2c(-c2[n-]nc3c2C2CCC3(C)C2(C)C)n1.CC12CCC(c3c1n[n-]c3-c1cccc(OC[N-]Cc3ccccn3)n1)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(C(C[N-]Cc3ccccn3)c3ccccc3)cc3ccccc13)C2(C)C.CC12CCC(c3c1n[n-]c3-c1nc(OC[N-]Cc3ccccn3)cc3ccccc13)C2(C)C.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide?

The InChIKey is SOLPVVKBAIICAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5.C30H33N5.C27H27N5O.C23H25N5O.4C5H8O2.4Ir/c1-33(2)27-16-17-34(33,3)32-29(27)31(38-39-32)30-25-15-8-7-13-23(25)19-28(37-30)26(22-11-5-4-6-12-22)21-35-20-24-14-9-10-18-36-24;1-28(2,18-31-17-20-11-8-9-15-32-20)23-16-19-10-6-7-12-21(19)25(33-23)26-24-22-13-14-30(5,29(22,3)4)27(24)35-34-26;1-26(2)20-11-12-27(26,3)25-22(20)24(31-32-25)23-19-10-5-4-8-17(19)14-21(30-23)33-16-28-15-18-9-6-7-13-29-18;1-22(2)16-10-11-23(22,3)21-19(16)20(27-28-21)17-8-6-9-18(26-17)29-14-24-13-15-7-4-5-12-25-15;4*1-4(6)3-5(2)7;;;;/h4-15,18-19,26-27H,16-17,20-21H2,1-3H3;6-12,15-16,22H,13-14,17-18H2,1-5H3;4-10,13-14,20H,11-12,15-16H2,1-3H3;4-9,12,16H,10-11,13-14H2,1-3H3;4*3,6H,1-2H3;;;;/q4*-2;;;;;;;;.

What are the key properties of tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide?

tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide has a molecular weight of 2969.67 g/mol, XLogP of 28.66, 29 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(4-hydroxypent-3-en-2-one);tetrakis(iridium);[2-methyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]propyl]-(pyridin-2-ylmethyl)azanide;[2-phenyl-2-[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]ethyl]-(pyridin-2-ylmethyl)azanide;pyridin-2-ylmethyl-[[1-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)isoquinolin-3-yl]oxymethyl]azanide;pyridin-2-ylmethyl-[[6-(1,10,10-trimethyl-3-aza-4-azanidatricyclo[5.2.1.02,6]deca-2,5-dien-5-yl)-2-pyridinyl]oxymethyl]azanide is sourced from PubChem (CID 159012902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).