[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

C60H61GeIrN5O-2 — CID 166499277

About [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide

[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (PubChem CID 166499277) has the molecular formula C60H61GeIrN5O-2 and a molecular weight of 1133.01 g/mol. Its IUPAC name is [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

Molecular Properties

• Compound Name: [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• PubChem CID: 166499277
• Molecular Formula: C60H61GeIrN5O-2
• Molecular Weight: 1133.01 g/mol
• Exact Mass: 1134.37
• IUPAC Name: [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide
• SMILES: CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccnc(C)c4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)[c-]ccc12.[Ir]
• InChI: InChI=1S/C41H35N4O.C19H26GeN.Ir/c1-23(2)34-21-30(29-16-15-27-10-7-8-11-28(27)20-29)22-35(24(3)4)38(34)45-37-26(6)42-19-18-36(37)44-40(45)33-13-9-12-31-32-17-14-25(5)43-41(32)46-39(31)33;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h7-12,14-24H,1-6H3;7-10,12,14H,13H2,1-6H3;/q2*-1
• InChIKey: MNVJDKFUCPNTHH-UHFFFAOYSA-N
• XLogP: 15.55
• TPSA: 69.63 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1133.01
LogP ≤ 5	15.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The IUPAC name of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide (CID 166499277) is [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide.

What is the SMILES notation for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The canonical SMILES for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is CC(C)(C)Cc1cc(-c2[c-]cccc2)ncc1[Ge](C)(C)C.Cc1ccc2c(n1)oc1c(-c3nc4ccnc(C)c4n3-c3c(C(C)C)cc(-c4ccc5ccccc5c4)cc3C(C)C)[c-]ccc12.[Ir].

What is the InChIKey of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

The InChIKey is MNVJDKFUCPNTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N4O.C19H26GeN.Ir/c1-23(2)34-21-30(29-16-15-27-10-7-8-11-28(27)20-29)22-35(24(3)4)38(34)45-37-26(6)42-19-18-36(37)44-40(45)33-13-9-12-31-32-17-14-25(5)43-41(32)46-39(31)33;1-19(2,3)13-16-12-18(15-10-8-7-9-11-15)21-14-17(16)20(4,5)6;/h7-12,14-24H,1-6H3;7-10,12,14H,13H2,1-6H3;/q2*-1;.

What are the key properties of [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide?

[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide has a molecular weight of 1133.01 g/mol, XLogP of 15.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylgermane;iridium;2-methyl-8-[4-methyl-3-[4-naphthalen-2-yl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridin-2-yl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide is sourced from PubChem (CID 166499277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).