carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

C88H59IrN5S-4 — CID 153458592

About carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium

carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (PubChem CID 153458592) has the molecular formula C88H59IrN5S-4 and a molecular weight of 1410.76 g/mol. Its IUPAC name is carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

Molecular Properties

• Compound Name: carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
• PubChem CID: 153458592
• Molecular Formula: C88H59IrN5S-4
• Molecular Weight: 1410.76 g/mol
• Exact Mass: 1410.41
• IUPAC Name: carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium
• SMILES: Cc1nc2c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5c[c-]c6c(c5)c5ccccc5n5c(C)c(C)nc65)cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5-c5ccc6c(c5)sc5cc(-c7ccccc7)ccc56)c4)cc3c3ccccc3n2c1C.[CH3-].[Ir]
• InChI: InChI=1S/C87H56N5S.CH3.Ir/c1-52-54(3)91-82-31-16-14-28-72(82)79-47-58(35-41-76(79)86(91)89-52)65-22-8-10-24-67(65)62-44-63(68-25-11-9-23-66(68)59-36-42-77-80(48-59)73-29-15-17-32-83(73)92-55(4)53(2)90-87(77)92)46-64(45-62)69-26-12-13-27-70(69)71-38-37-61(81-30-18-19-43-88-81)49-78(71)60-34-40-75-74-39-33-57(56-20-6-5-7-21-56)50-84(74)93-85(75)51-60;;/h5-36,38-40,43-51H,1-4H3;1H3;/q-3;-1
• InChIKey: CXCODYKRGOFDIL-UHFFFAOYSA-N
• XLogP: 23.44
• TPSA: 47.49 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1410.76
LogP ≤ 5	23.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The IUPAC name of carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium (CID 153458592) is carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium.

What is the SMILES notation for carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The canonical SMILES for carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is Cc1nc2c3[c-]cc(-c4ccccc4-c4cc(-c5ccccc5-c5c[c-]c6c(c5)c5ccccc5n5c(C)c(C)nc65)cc(-c5ccccc5-c5c[c-]c(-c6ccccn6)cc5-c5ccc6c(c5)sc5cc(-c7ccccc7)ccc56)c4)cc3c3ccccc3n2c1C.[CH3-].[Ir].

What is the InChIKey of carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

The InChIKey is CXCODYKRGOFDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H56N5S.CH3.Ir/c1-52-54(3)91-82-31-16-14-28-72(82)79-47-58(35-41-76(79)86(91)89-52)65-22-8-10-24-67(65)62-44-63(68-25-11-9-23-66(68)59-36-42-77-80(48-59)73-29-15-17-32-83(73)92-55(4)53(2)90-87(77)92)46-64(45-62)69-26-12-13-27-70(69)71-38-37-61(81-30-18-19-43-88-81)49-78(71)60-34-40-75-74-39-33-57(56-20-6-5-7-21-56)50-84(74)93-85(75)51-60;;/h5-36,38-40,43-51H,1-4H3;1H3;/q-3;-1;.

What are the key properties of carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium?

carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium has a molecular weight of 1410.76 g/mol, XLogP of 23.44, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;10-[2-[3-[2-(2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-id-10-yl)phenyl]-5-[2-[2-(7-phenyldibenzothiophen-3-yl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]phenyl]-2,3-dimethyl-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium is sourced from PubChem (CID 153458592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).