iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane

C49H48GeIrN2O-2 — CID 166576979

About iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane

iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane (PubChem CID 166576979) has the molecular formula C49H48GeIrN2O-2 and a molecular weight of 945.76 g/mol. Its IUPAC name is iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane.

Molecular Properties

• Compound Name: iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane
• PubChem CID: 166576979
• Molecular Formula: C49H48GeIrN2O-2
• Molecular Weight: 945.76 g/mol
• Exact Mass: 947.26
• IUPAC Name: iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane
• SMILES: C[Ge](C)(C)c1ccc(-c2[c-]ccc3c2CCCC3)nc1.[Ir].[c-]1ccc2c(oc3ccc(-c4cccc5c4CCCC5)cc32)c1-c1nccc2c1CCCC2
• InChI: InChI=1S/C31H26NO.C18H22GeN.Ir/c1-3-10-23-20(7-1)9-5-12-24(23)22-15-16-29-28(19-22)26-13-6-14-27(31(26)33-29)30-25-11-4-2-8-21(25)17-18-32-30;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h5-6,9,12-13,15-19H,1-4,7-8,10-11H2;6,8,11-13H,4-5,7,9H2,1-3H3;/q2*-1
• InChIKey: QFSJOUDDFIKXEX-UHFFFAOYSA-N
• XLogP: 11.84
• TPSA: 38.92 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.76
LogP ≤ 5	11.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The IUPAC name of iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane (CID 166576979) is iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane.

What is the SMILES notation for iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The canonical SMILES for iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane is C[Ge](C)(C)c1ccc(-c2[c-]ccc3c2CCCC3)nc1.[Ir].[c-]1ccc2c(oc3ccc(-c4cccc5c4CCCC5)cc32)c1-c1nccc2c1CCCC2.

What is the InChIKey of iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

The InChIKey is QFSJOUDDFIKXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26NO.C18H22GeN.Ir/c1-3-10-23-20(7-1)9-5-12-24(23)22-15-16-29-28(19-22)26-13-6-14-27(31(26)33-29)30-25-11-4-2-8-21(25)17-18-32-30;1-19(2,3)15-11-12-18(20-13-15)17-10-6-8-14-7-4-5-9-16(14)17;/h5-6,9,12-13,15-19H,1-4,7-8,10-11H2;6,8,11-13H,4-5,7,9H2,1-3H3;/q2*-1;.

What are the key properties of iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane?

iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane has a molecular weight of 945.76 g/mol, XLogP of 11.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for iridium;1-[8-(5,6,7,8-tetrahydronaphthalen-1-yl)-3H-dibenzofuran-3-id-4-yl]-5,6,7,8-tetrahydroisoquinoline;trimethyl-[6-(5,6,7,8-tetrahydro-2H-naphthalen-2-id-1-yl)-3-pyridinyl]germane is sourced from PubChem (CID 166576979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).