carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C25H22IrN2-2 — CID 168797065

About carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 168797065) has the molecular formula C25H22IrN2-2 and a molecular weight of 561.80 g/mol. Its IUPAC name is carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

• Compound Name: carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
• PubChem CID: 168797065
• Molecular Formula: C25H22IrN2-2
• Molecular Weight: 561.80 g/mol
• Exact Mass: 562.26
• IUPAC Name: carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
• SMILES: [2H]c1[c-]c2c(c([2H])c1[2H])c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1n1c(-c3c(C([2H])([2H])[2H])c([2H])c([2H])c([2H])c3C([2H])([2H])[2H])c([2H])nc21.[CH3-].[Ir]
• InChI: InChI=1S/C24H19N2.CH3.Ir/c1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;;/h4-9,11-14H,1-3H3;1H3;/q2*-1;/i1D3,2D3,3D3,4D,5D,6D,7D,8D,9D,11D,12D,13D,14D
• InChIKey: NLFWFGMZKWRHDU-TWGATCBQSA-N
• XLogP: 6.48
• TPSA: 17.30 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.80
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The IUPAC name of carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 168797065) is carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

What is the SMILES notation for carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The canonical SMILES for carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is [2H]c1[c-]c2c(c([2H])c1[2H])c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1n1c(-c3c(C([2H])([2H])[2H])c([2H])c([2H])c([2H])c3C([2H])([2H])[2H])c([2H])nc21.[CH3-].[Ir].

What is the InChIKey of carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The InChIKey is NLFWFGMZKWRHDU-TWGATCBQSA-N. The full InChI is InChI=1S/C24H19N2.CH3.Ir/c1-15-11-12-21-20(13-15)18-9-4-5-10-19(18)24-25-14-22(26(21)24)23-16(2)7-6-8-17(23)3;;/h4-9,11-14H,1-3H3;1H3;/q2*-1;/i1D3,2D3,3D3,4D,5D,6D,7D,8D,9D,11D,12D,13D,14D;;.

What are the key properties of carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 561.80 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;2,5,6,8,9,10,11-heptadeuterio-3-[3,4,5-trideuterio-2,6-bis(trideuteriomethyl)phenyl]-7-(trideuteriomethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 168797065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).