1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+)

C96H87Ir2N10O4-4 — CID 153434539

About 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+)

1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+) (PubChem CID 153434539) has the molecular formula C96H87Ir2N10O4-4 and a molecular weight of 1829.25 g/mol. Its IUPAC name is 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+).

Molecular Properties

• Compound Name: 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+)
• PubChem CID: 153434539
• Molecular Formula: C96H87Ir2N10O4-4
• Molecular Weight: 1829.25 g/mol
• Exact Mass: 1829.62
• IUPAC Name: 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+)
• SMILES: CC(C)Cc1cc[c-]c(-c2ccc(N(C)C(=O)c3cc(C(=O)N(C)c4ccc(-c5[c-]ccc(CC(C)C)c5)nc4)cc(-c4ccc[c-]c4-c4cnc(-c5[c-]ccc[c-]5)nc4)c3)cn2)c1.CC(C)Cc1cc[c-]c(-c2ccc(N(C)C(=O)c3cccc(C(=O)N(C)c4ccc(-c5[c-]ccc(CC(C)C)c5)nc4)c3)cn2)c1.[Ir+3].[Ir]
• InChI: InChI=1S/C56H47N6O2.C40H40N4O2.2Ir/c1-37(2)26-39-14-12-18-42(28-39)52-24-22-48(35-57-52)61(5)55(63)45-30-44(50-20-10-11-21-51(50)47-33-59-54(60-34-47)41-16-8-7-9-17-41)31-46(32-45)56(64)62(6)49-23-25-53(58-36-49)43-19-13-15-40(29-43)27-38(3)4;1-27(2)20-29-10-7-12-31(22-29)37-18-16-35(25-41-37)43(5)39(45)33-14-9-15-34(24-33)40(46)44(6)36-17-19-38(42-26-36)32-13-8-11-30(23-32)21-28(3)4;;/h7-15,20,22-25,28-38H,26-27H2,1-6H3;7-11,14-19,22-28H,20-21H2,1-6H3;;/q-5;-2;;+3
• InChIKey: RPIDVALHSZYBFW-UHFFFAOYSA-N
• XLogP: 19.91
• TPSA: 158.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 23
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1829.25
LogP ≤ 5	19.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+)?

The IUPAC name of 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+) (CID 153434539) is 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+).

What is the SMILES notation for 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+)?

The canonical SMILES for 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+) is CC(C)Cc1cc[c-]c(-c2ccc(N(C)C(=O)c3cc(C(=O)N(C)c4ccc(-c5[c-]ccc(CC(C)C)c5)nc4)cc(-c4ccc[c-]c4-c4cnc(-c5[c-]ccc[c-]5)nc4)c3)cn2)c1.CC(C)Cc1cc[c-]c(-c2ccc(N(C)C(=O)c3cccc(C(=O)N(C)c4ccc(-c5[c-]ccc(CC(C)C)c5)nc4)c3)cn2)c1.[Ir+3].[Ir].

What is the InChIKey of 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+)?

The InChIKey is RPIDVALHSZYBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H47N6O2.C40H40N4O2.2Ir/c1-37(2)26-39-14-12-18-42(28-39)52-24-22-48(35-57-52)61(5)55(63)45-30-44(50-20-10-11-21-51(50)47-33-59-54(60-34-47)41-16-8-7-9-17-41)31-46(32-45)56(64)62(6)49-23-25-53(58-36-49)43-19-13-15-40(29-43)27-38(3)4;1-27(2)20-29-10-7-12-31(22-29)37-18-16-35(25-41-37)43(5)39(45)33-14-9-15-34(24-33)40(46)44(6)36-17-19-38(42-26-36)32-13-8-11-30(23-32)21-28(3)4;;/h7-15,20,22-25,28-38H,26-27H2,1-6H3;7-11,14-19,22-28H,20-21H2,1-6H3;;/q-5;-2;;+3.

What are the key properties of 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+)?

1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+) has a molecular weight of 1829.25 g/mol, XLogP of 19.91, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]benzene-1,3-dicarboxamide;1-N,3-N-dimethyl-1-N,3-N-bis[6-[3-(2-methylpropyl)benzene-6-id-1-yl]-3-pyridinyl]-5-[2-(2-phenylpyrimidin-5-yl)benzene-3-id-1-yl]benzene-1,3-dicarboxamide;iridium;iridium(3+) is sourced from PubChem (CID 153434539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).