bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane

C118H124Ge2Ir2N8O2-4 — CID 158534436

About bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane

bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane (PubChem CID 158534436) has the molecular formula C118H124Ge2Ir2N8O2-4 and a molecular weight of 2216.00 g/mol. Its IUPAC name is bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
• PubChem CID: 158534436
• Molecular Formula: C118H124Ge2Ir2N8O2-4
• Molecular Weight: 2216.00 g/mol
• Exact Mass: 2218.76
• IUPAC Name: bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane
• SMILES: CC(C)Cc1cc(-c2[c-]cc3c(c2)CCCC3)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]ccc3c2CCCC3)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.[Ir].[Ir]
• InChI: InChI=1S/2C37H32N3O.2C22H30GeN.2Ir/c2*1-22(2)30-20-26(25-12-7-6-8-13-25)21-31(23(3)4)34(30)40-33-17-10-9-16-32(33)39-36(40)29-15-11-14-27-28-19-18-24(5)38-37(28)41-35(27)29;1-16(2)13-18-14-22(24-15-21(18)23(3,4)5)20-12-8-10-17-9-6-7-11-19(17)20;1-16(2)12-20-14-22(24-15-21(20)23(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;;/h2*6-14,16-23H,1-5H3;8,10,14-16H,6-7,9,11,13H2,1-5H3;10,13-16H,6-9,12H2,1-5H3;;/q4*-1
• InChIKey: FBKNAELCIJHRRT-UHFFFAOYSA-N
• XLogP: 30.36
• TPSA: 113.48 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 18
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2216.00
LogP ≤ 5	30.36
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 bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?

The IUPAC name of bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane (CID 158534436) is bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane.

What is the SMILES notation for bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?

The canonical SMILES for bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane is CC(C)Cc1cc(-c2[c-]cc3c(c2)CCCC3)ncc1[Ge](C)(C)C.CC(C)Cc1cc(-c2[c-]ccc3c2CCCC3)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.Cc1ccc2c(n1)oc1c(-c3nc4ccccc4n3-c3c(C(C)C)cc(-c4ccccc4)cc3C(C)C)[c-]ccc12.[Ir].[Ir].

What is the InChIKey of bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?

The InChIKey is FBKNAELCIJHRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H32N3O.2C22H30GeN.2Ir/c2*1-22(2)30-20-26(25-12-7-6-8-13-25)21-31(23(3)4)34(30)40-33-17-10-9-16-32(33)39-36(40)29-15-11-14-27-28-19-18-24(5)38-37(28)41-35(27)29;1-16(2)13-18-14-22(24-15-21(18)23(3,4)5)20-12-8-10-17-9-6-7-11-19(17)20;1-16(2)12-20-14-22(24-15-21(20)23(3,4)5)19-11-10-17-8-6-7-9-18(17)13-19;;/h2*6-14,16-23H,1-5H3;8,10,14-16H,6-7,9,11,13H2,1-5H3;10,13-16H,6-9,12H2,1-5H3;;/q4*-1;;.

What are the key properties of bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane?

bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane has a molecular weight of 2216.00 g/mol, XLogP of 30.36, 18 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(iridium);bis(2-methyl-8-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide);trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane;trimethyl-[4-(2-methylpropyl)-6-(5,6,7,8-tetrahydro-3H-naphthalen-3-id-2-yl)-3-pyridinyl]germane is sourced from PubChem (CID 158534436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).