5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+))

C136H118Ir2N10 — CID 153434776

About 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+))

5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+)) (PubChem CID 153434776) has the molecular formula C136H118Ir2N10 and a molecular weight of 2276.94 g/mol. Its IUPAC name is 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+)).

Molecular Properties

• Compound Name: 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+))
• PubChem CID: 153434776
• Molecular Formula: C136H118Ir2N10
• Molecular Weight: 2276.94 g/mol
• Exact Mass: 2276.88
• IUPAC Name: 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+))
• SMILES: CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4nccn4-c4c(C(C)C)cccc4C(C)C)cc3)cc(-c3cccc(-c4cc(-c5ccccc5-c5c[c-]c(-c6nccn6-c6c(C(C)C)cccc6C(C)C)cc5)cc(-c5ccccc5-c5c[c-]c(-c6nccn6-c6c(C(C)C)cccc6C(C)C)cc5)c4)c3-c3c[c-]c(-c4[c-]cccn4)nc3)c2)cc1.[Ir+3].[Ir+3]
• InChI: InChI=1S/C136H118N10.2Ir/c1-85(2)108-40-27-41-109(86(3)4)129(108)143-74-70-138-133(143)97-59-51-93(52-60-97)116-32-17-21-36-120(116)102-78-103(121-37-22-18-33-117(121)94-53-61-98(62-54-94)134-139-71-75-144(134)130-110(87(5)6)42-28-43-111(130)88(7)8)81-106(80-102)124-48-31-49-125(128(124)101-67-68-127(142-84-101)126-50-25-26-69-137-126)107-82-104(122-38-23-19-34-118(122)95-55-63-99(64-56-95)135-140-72-76-145(135)131-112(89(9)10)44-29-45-113(131)90(11)12)79-105(83-107)123-39-24-20-35-119(123)96-57-65-100(66-58-96)136-141-73-77-146(136)132-114(91(13)14)46-30-47-115(132)92(15)16;;/h17-49,51-59,61,63,65,67,69-92H,1-16H3;;/q-6;2*+3
• InChIKey: DHISXXFTBJNFEV-UHFFFAOYSA-N
• XLogP: 35.67
• TPSA: 97.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2276.94
LogP ≤ 5	35.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+))?

The IUPAC name of 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+)) (CID 153434776) is 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+)).

What is the SMILES notation for 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+))?

The canonical SMILES for 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+)) is CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cc(-c2ccccc2-c2cc(-c3ccccc3-c3c[c-]c(-c4nccn4-c4c(C(C)C)cccc4C(C)C)cc3)cc(-c3cccc(-c4cc(-c5ccccc5-c5c[c-]c(-c6nccn6-c6c(C(C)C)cccc6C(C)C)cc5)cc(-c5ccccc5-c5c[c-]c(-c6nccn6-c6c(C(C)C)cccc6C(C)C)cc5)c4)c3-c3c[c-]c(-c4[c-]cccn4)nc3)c2)cc1.[Ir+3].[Ir+3].

What is the InChIKey of 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+))?

The InChIKey is DHISXXFTBJNFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C136H118N10.2Ir/c1-85(2)108-40-27-41-109(86(3)4)129(108)143-74-70-138-133(143)97-59-51-93(52-60-97)116-32-17-21-36-120(116)102-78-103(121-37-22-18-33-117(121)94-53-61-98(62-54-94)134-139-71-75-144(134)130-110(87(5)6)42-28-43-111(130)88(7)8)81-106(80-102)124-48-31-49-125(128(124)101-67-68-127(142-84-101)126-50-25-26-69-137-126)107-82-104(122-38-23-19-34-118(122)95-55-63-99(64-56-95)135-140-72-76-145(135)131-112(89(9)10)44-29-45-113(131)90(11)12)79-105(83-107)123-39-24-20-35-119(123)96-57-65-100(66-58-96)136-141-73-77-146(136)132-114(91(13)14)46-30-47-115(132)92(15)16;;/h17-49,51-59,61,63,65,67,69-92H,1-16H3;;/q-6;2*+3.

What are the key properties of 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+))?

5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+)) has a molecular weight of 2276.94 g/mol, XLogP of 35.67, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-bis[3,5-bis[2-[4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-(3H-pyridin-3-id-2-yl)-3H-pyridin-3-ide;bis(iridium(3+)) is sourced from PubChem (CID 153434776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).