8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide

C175H102Ir3N15 — CID 157288366

About 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide

8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide (PubChem CID 157288366) has the molecular formula C175H102Ir3N15 and a molecular weight of 2991.50 g/mol. Its IUPAC name is 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide.

Molecular Properties

• Compound Name: 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide
• PubChem CID: 157288366
• Molecular Formula: C175H102Ir3N15
• Molecular Weight: 2991.50 g/mol
• Exact Mass: 2991.73
• IUPAC Name: 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide
• SMILES: [Ir+3].[Ir+3].[Ir+3].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)c3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cn3)c2)ncc1-c1ccccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)c3)cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)c3)c2)ncc1-c1ccccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)n3)cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)n3)c2)ncc1-c1ccccn1
• InChI: InChI=1S/C60H35N4.C58H33N6.C57H34N5.3Ir/c1-3-15-51(49(13-1)41-24-27-54-43(33-41)22-20-39-11-9-31-62-59(39)54)46-35-47(52-16-4-2-14-50(52)42-25-28-55-44(34-42)23-21-40-12-10-32-63-60(40)55)37-48(36-46)53-17-5-6-18-56(53)58-29-26-45(38-64-58)57-19-7-8-30-61-57;1-4-16-46(52-25-22-39(36-62-52)51-19-7-8-30-59-51)43(13-1)40-33-41(44-14-2-5-17-47(44)53-28-23-49-55(63-53)26-20-37-11-9-31-60-57(37)49)35-42(34-40)45-15-3-6-18-48(45)54-29-24-50-56(64-54)27-21-38-12-10-32-61-58(38)50;1-2-14-47(46(13-1)39-23-26-50-40(32-39)22-21-38-12-11-31-60-57(38)50)43-33-44(48-15-3-5-17-51(48)55-27-24-41(36-61-55)53-19-7-9-29-58-53)35-45(34-43)49-16-4-6-18-52(49)56-28-25-42(37-62-56)54-20-8-10-30-59-54;;;/h1-25,29-38H;1-21,25-36H;1-23,27-37H;;;/q3*-3;3*+3
• InChIKey: XCGYXDPKYOVZQI-UHFFFAOYSA-N
• XLogP: 42.39
• TPSA: 193.35 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 22
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2991.50
LogP ≤ 5	42.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide?

The IUPAC name of 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide (CID 157288366) is 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide.

What is the SMILES notation for 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide?

The canonical SMILES for 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide is [Ir+3].[Ir+3].[Ir+3].[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)c3)cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cn3)c2)ncc1-c1ccccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)c3)cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)c3)c2)ncc1-c1ccccn1.[c-]1cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)n3)cc(-c3ccccc3-c3c[c-]c4c(ccc5cccnc54)n3)c2)ncc1-c1ccccn1.

What is the InChIKey of 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide?

The InChIKey is XCGYXDPKYOVZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N4.C58H33N6.C57H34N5.3Ir/c1-3-15-51(49(13-1)41-24-27-54-43(33-41)22-20-39-11-9-31-62-59(39)54)46-35-47(52-16-4-2-14-50(52)42-25-28-55-44(34-42)23-21-40-12-10-32-63-60(40)55)37-48(36-46)53-17-5-6-18-56(53)58-29-26-45(38-64-58)57-19-7-8-30-61-57;1-4-16-46(52-25-22-39(36-62-52)51-19-7-8-30-59-51)43(13-1)40-33-41(44-14-2-5-17-47(44)53-28-23-49-55(63-53)26-20-37-11-9-31-60-57(37)49)35-42(34-40)45-15-3-6-18-48(45)54-29-24-50-56(64-54)27-21-38-12-10-32-61-58(38)50;1-2-14-47(46(13-1)39-23-26-50-40(32-39)22-21-38-12-11-31-60-57(38)50)43-33-44(48-15-3-5-17-51(48)55-27-24-41(36-61-55)53-19-7-9-29-58-53)35-45(34-43)49-16-4-6-18-52(49)56-28-25-42(37-62-56)54-20-8-10-30-59-54;;;/h1-25,29-38H;1-21,25-36H;1-23,27-37H;;;/q3*-3;3*+3.

What are the key properties of 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide?

8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide has a molecular weight of 2991.50 g/mol, XLogP of 42.39, 22 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-[3-[2-(10H-benzo[h]quinolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;8-[2-[3,5-bis[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-benzo[h]quinolin-10-ide;tris(iridium(3+));8-[2-[3-[2-(10H-1,7-phenanthrolin-10-id-8-yl)phenyl]-5-[2-(5-pyridin-2-yl-4H-pyridin-4-id-2-yl)phenyl]phenyl]phenyl]-10H-1,7-phenanthrolin-10-ide is sourced from PubChem (CID 157288366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).