3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+))

C199H134Ir3N21 — CID 160671608

About 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+))

3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+)) (PubChem CID 160671608) has the molecular formula C199H134Ir3N21 and a molecular weight of 3396.06 g/mol. Its IUPAC name is 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+)).

Molecular Properties

• Compound Name: 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+))
• PubChem CID: 160671608
• Molecular Formula: C199H134Ir3N21
• Molecular Weight: 3396.06 g/mol
• Exact Mass: 3396.00
• IUPAC Name: 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+))
• SMILES: Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4nccn4-c4c[c-]c(-c5ccccn5)cc4)cc(-c4nccn4-c4c[c-]c(-c5ccccn5)cc4)c3)c(-c3ccc(-c4ccccc4)cc3)c2)nc1.[Ir+3].[Ir+3].[Ir+3].[c-]1cc(-n2ccnc2-c2cc(-c3ccccc3-c3c[c-]c(-c4cc5c(cn4)CCC5)cc3-c3ccc(-c4ccccc4)cc3)cc(-c3nccn3-c3c[c-]c(-c4ccccn4)cc3)c2)ccc1-c1ccccn1.[c-]1cc(-n2ccnc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)cc(-c3nccn3-c3c[c-]c(-c4cc5c(cn4)CCC5)cc3)c2)ccc1-c1cc2c(cn1)CCC2
• InChI: InChI=1S/C69H48N7.C66H44N7.C64H42N7.3Ir/c1-2-10-46(11-3-1)47-19-21-48(22-20-47)64-41-53(65-18-6-7-33-70-65)27-32-63(64)62-17-5-4-16-61(62)56-38-57(68-71-34-36-75(68)59-28-23-49(24-29-59)66-42-51-12-8-14-54(51)44-73-66)40-58(39-56)69-72-35-37-76(69)60-30-25-50(26-31-60)67-43-52-13-9-15-55(52)45-74-67;1-2-11-45(12-3-1)46-19-21-47(22-20-46)61-42-51(64-43-50-13-10-14-52(50)44-71-64)27-32-60(61)59-16-5-4-15-58(59)53-39-54(65-69-35-37-72(65)56-28-23-48(24-29-56)62-17-6-8-33-67-62)41-55(40-53)66-70-36-38-73(66)57-30-25-49(26-31-57)63-18-7-9-34-68-63;1-44-17-32-62(69-43-44)50-26-31-58(59(42-50)47-20-18-46(19-21-47)45-11-3-2-4-12-45)57-14-6-5-13-56(57)51-39-52(63-67-35-37-70(63)54-27-22-48(23-28-54)60-15-7-9-33-65-60)41-53(40-51)64-68-36-38-71(64)55-29-24-49(25-30-55)61-16-8-10-34-66-61;;;/h1-7,10-11,16-23,25,28-45H,8-9,12-15H2;1-9,11-12,15-23,25,28-44H,10,13-14H2;2-22,24,27-43H,1H3;;;/q3*-3;3*+3
• InChIKey: VRKDFMNDXNNMKN-UHFFFAOYSA-N
• XLogP: 45.71
• TPSA: 222.93 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 33
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3396.06
LogP ≤ 5	45.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+))?

The IUPAC name of 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+)) (CID 160671608) is 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+)).

What is the SMILES notation for 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+))?

The canonical SMILES for 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+)) is Cc1ccc(-c2[c-]cc(-c3ccccc3-c3cc(-c4nccn4-c4c[c-]c(-c5ccccn5)cc4)cc(-c4nccn4-c4c[c-]c(-c5ccccn5)cc4)c3)c(-c3ccc(-c4ccccc4)cc3)c2)nc1.[Ir+3].[Ir+3].[Ir+3].[c-]1cc(-n2ccnc2-c2cc(-c3ccccc3-c3c[c-]c(-c4cc5c(cn4)CCC5)cc3-c3ccc(-c4ccccc4)cc3)cc(-c3nccn3-c3c[c-]c(-c4ccccn4)cc3)c2)ccc1-c1ccccn1.[c-]1cc(-n2ccnc2-c2cc(-c3ccccc3-c3c[c-]c(-c4ccccn4)cc3-c3ccc(-c4ccccc4)cc3)cc(-c3nccn3-c3c[c-]c(-c4cc5c(cn4)CCC5)cc3)c2)ccc1-c1cc2c(cn1)CCC2.

What is the InChIKey of 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+))?

The InChIKey is VRKDFMNDXNNMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H48N7.C66H44N7.C64H42N7.3Ir/c1-2-10-46(11-3-1)47-19-21-48(22-20-47)64-41-53(65-18-6-7-33-70-65)27-32-63(64)62-17-5-4-16-61(62)56-38-57(68-71-34-36-75(68)59-28-23-49(24-29-59)66-42-51-12-8-14-54(51)44-73-66)40-58(39-56)69-72-35-37-76(69)60-30-25-50(26-31-60)67-43-52-13-9-15-55(52)45-74-67;1-2-11-45(12-3-1)46-19-21-47(22-20-46)61-42-51(64-43-50-13-10-14-52(50)44-71-64)27-32-60(61)59-16-5-4-15-58(59)53-39-54(65-69-35-37-72(65)56-28-23-48(24-29-56)62-17-6-8-33-67-62)41-55(40-53)66-70-36-38-73(66)57-30-25-49(26-31-57)63-18-7-9-34-68-63;1-44-17-32-62(69-43-44)50-26-31-58(59(42-50)47-20-18-46(19-21-47)45-11-3-2-4-12-45)57-14-6-5-13-56(57)51-39-52(63-67-35-37-70(63)54-27-22-48(23-28-54)60-15-7-9-33-65-60)41-53(40-51)64-68-36-38-71(64)55-29-24-49(25-30-55)61-16-8-10-34-66-61;;;/h1-7,10-11,16-23,25,28-45H,8-9,12-15H2;1-9,11-12,15-23,25,28-44H,10,13-14H2;2-22,24,27-43H,1H3;;;/q3*-3;3*+3.

What are the key properties of 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+))?

3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+)) has a molecular weight of 3396.06 g/mol, XLogP of 45.71, 33 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;2-[4-[2-[3,5-bis[1-(4-pyridin-2-ylbenzene-5-id-1-yl)imidazol-2-yl]phenyl]phenyl]-3-(4-phenylphenyl)benzene-6-id-1-yl]-5-methylpyridine;3-[4-[2-[3-[1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)benzene-5-id-1-yl]imidazol-2-yl]-5-[2-[2-(4-phenylphenyl)-4-pyridin-2-ylbenzene-5-id-1-yl]phenyl]phenyl]imidazol-1-yl]benzene-6-id-1-yl]-6,7-dihydro-5H-cyclopenta[c]pyridine;tris(iridium(3+)) is sourced from PubChem (CID 160671608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).