2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium

C63H73IrN5-2 — CID 140826575

About 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium

2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium (PubChem CID 140826575) has the molecular formula C63H73IrN5-2 and a molecular weight of 1092.53 g/mol. Its IUPAC name is 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium.

Molecular Properties

• Compound Name: 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium
• PubChem CID: 140826575
• Molecular Formula: C63H73IrN5-2
• Molecular Weight: 1092.53 g/mol
• Exact Mass: 1092.55
• IUPAC Name: 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium
• SMILES: CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)n2)cc1.CC1(C)c2c[c-]c(-c3ccccn3)cc2C(C)(C)C1(C)C.[Ir]
• InChI: InChI=1S/C43H49N4.C20H24N.Ir/c1-39(2,3)31-19-13-27(14-20-31)36-45-37(28-15-21-32(22-16-28)40(4,5)6)47-38(46-36)30-18-24-35(44-26-30)29-17-23-33-34(25-29)42(9,10)43(11,12)41(33,7)8;1-18(2)15-11-10-14(17-9-7-8-12-21-17)13-16(15)19(3,4)20(18,5)6;/h13-16,18-26H,1-12H3;7-9,11-13H,1-6H3;/q2*-1
• InChIKey: DXQDVAFYBURKBX-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 64.45 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.53
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium?

The IUPAC name of 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium (CID 140826575) is 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium.

What is the SMILES notation for 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium?

The canonical SMILES for 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(-c4[c-]cc5c(c4)C(C)(C)C(C)(C)C5(C)C)nc3)n2)cc1.CC1(C)c2c[c-]c(-c3ccccn3)cc2C(C)(C)C1(C)C.[Ir].

What is the InChIKey of 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium?

The InChIKey is DXQDVAFYBURKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H49N4.C20H24N.Ir/c1-39(2,3)31-19-13-27(14-20-31)36-45-37(28-15-21-32(22-16-28)40(4,5)6)47-38(46-36)30-18-24-35(44-26-30)29-17-23-33-34(25-29)42(9,10)43(11,12)41(33,7)8;1-18(2)15-11-10-14(17-9-7-8-12-21-17)13-16(15)19(3,4)20(18,5)6;/h13-16,18-26H,1-12H3;7-9,11-13H,1-6H3;/q2*-1;.

What are the key properties of 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium?

2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium has a molecular weight of 1092.53 g/mol, XLogP of 16.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-bis(4-tert-butylphenyl)-6-[6-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)-3-pyridinyl]-1,3,5-triazine;2-(1,1,2,2,3,3-hexamethyl-6H-inden-6-id-5-yl)pyridine;iridium is sourced from PubChem (CID 140826575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).