5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium

C79H63IrN7S-4 — CID 153458366

About 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium

5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium (PubChem CID 153458366) has the molecular formula C79H63IrN7S-4 and a molecular weight of 1334.71 g/mol. Its IUPAC name is 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium.

Molecular Properties

• Compound Name: 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium
• PubChem CID: 153458366
• Molecular Formula: C79H63IrN7S-4
• Molecular Weight: 1334.71 g/mol
• Exact Mass: 1334.45
• IUPAC Name: 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium
• SMILES: Cc1cn2c(C(C)(C)C)nc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6[c-]cc(C)c(-c7ccc8c(c7)sc7ccccc78)c6)nc5)cc(-c5ccccc5-c5c[c-]c6c(c5)nc(C(C)(C)C)n5cc(C)nc65)c4)c[c-]c3c2n1.[CH3-].[Ir]
• InChI: InChI=1S/C78H60N7S.CH3.Ir/c1-46-26-27-52(39-67(46)51-28-32-64-63-24-16-17-25-71(63)86-72(64)42-51)68-35-31-53(43-79-68)59-20-12-15-23-62(59)56-37-54(60-21-13-10-18-57(60)49-29-33-65-69(40-49)82-75(77(4,5)6)84-44-47(2)80-73(65)84)36-55(38-56)61-22-14-11-19-58(61)50-30-34-66-70(41-50)83-76(78(7,8)9)85-45-48(3)81-74(66)85;;/h10-26,28-32,35-45H,1-9H3;1H3;/q-3;-1
• InChIKey: FUVONWQBXSQDDW-UHFFFAOYSA-N
• XLogP: 20.55
• TPSA: 73.27 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1334.71
LogP ≤ 5	20.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium?

The IUPAC name of 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium (CID 153458366) is 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium.

What is the SMILES notation for 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium?

The canonical SMILES for 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium is Cc1cn2c(C(C)(C)C)nc3cc(-c4ccccc4-c4cc(-c5ccccc5-c5ccc(-c6[c-]cc(C)c(-c7ccc8c(c7)sc7ccccc78)c6)nc5)cc(-c5ccccc5-c5c[c-]c6c(c5)nc(C(C)(C)C)n5cc(C)nc65)c4)c[c-]c3c2n1.[CH3-].[Ir].

What is the InChIKey of 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium?

The InChIKey is FUVONWQBXSQDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N7S.CH3.Ir/c1-46-26-27-52(39-67(46)51-28-32-64-63-24-16-17-25-71(63)86-72(64)42-51)68-35-31-53(43-79-68)59-20-12-15-23-62(59)56-37-54(60-21-13-10-18-57(60)49-29-33-65-69(40-49)82-75(77(4,5)6)84-44-47(2)80-73(65)84)36-55(38-56)61-22-14-11-19-58(61)50-30-34-66-70(41-50)83-76(78(7,8)9)85-45-48(3)81-74(66)85;;/h10-26,28-32,35-45H,1-9H3;1H3;/q-3;-1;.

What are the key properties of 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium?

5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium has a molecular weight of 1334.71 g/mol, XLogP of 20.55, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-8-[2-[3-[2-(5-tert-butyl-2-methyl-10H-imidazo[1,2-c]quinazolin-10-id-8-yl)phenyl]-5-[2-[6-(3-dibenzothiophen-3-yl-4-methylbenzene-6-id-1-yl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-methyl-10H-imidazo[1,2-c]quinazolin-10-ide;carbanide;iridium is sourced from PubChem (CID 153458366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).