5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))

C130H82F4Ir2N6 — CID 153448909

About 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))

5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+)) (PubChem CID 153448909) has the molecular formula C130H82F4Ir2N6 and a molecular weight of 2188.55 g/mol. Its IUPAC name is 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+)).

Molecular Properties

• Compound Name: 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))
• PubChem CID: 153448909
• Molecular Formula: C130H82F4Ir2N6
• Molecular Weight: 2188.55 g/mol
• Exact Mass: 2188.58
• IUPAC Name: 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))
• SMILES: Cc1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ncc(-c6ccccc6-c6cc(-c7ccccc7-c7c[c-]c(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)cc(-c7ccccc7-c7c[c-]c(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)c6)cn5)[c-]c4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1.[Ir+3].[Ir+3]
• InChI: InChI=1S/C130H82F4N6.2Ir/c1-81-65-126(135-77-122(81)90-49-57-106(131)58-50-90)94-39-29-85(30-40-94)110-17-5-10-22-115(110)99-69-100(116-23-11-6-18-111(116)86-31-41-95(42-32-86)127-66-82(2)123(78-136-127)91-51-59-107(132)60-52-91)71-101(70-99)119-26-14-9-21-114(119)89-37-47-98(48-38-89)130-139-75-105(76-140-130)121-28-16-15-27-120(121)104-73-102(117-24-12-7-19-112(117)87-33-43-96(44-34-87)128-67-83(3)124(79-137-128)92-53-61-108(133)62-54-92)72-103(74-104)118-25-13-8-20-113(118)88-35-45-97(46-36-88)129-68-84(4)125(80-138-129)93-55-63-109(134)64-56-93;;/h5-39,41,43,45,49-80H,1-4H3;;/q-6;2*+3
• InChIKey: RFIWCONCTUTVGQ-UHFFFAOYSA-N
• XLogP: 33.65
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 21
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2188.55
LogP ≤ 5	33.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))?

The IUPAC name of 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+)) (CID 153448909) is 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+)).

What is the SMILES notation for 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))?

The canonical SMILES for 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+)) is Cc1cc(-c2[c-]cc(-c3ccccc3-c3cc(-c4ccccc4-c4c[c-]c(-c5ncc(-c6ccccc6-c6cc(-c7ccccc7-c7c[c-]c(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)cc(-c7ccccc7-c7c[c-]c(-c8cc(C)c(-c9ccc(F)cc9)cn8)cc7)c6)cn5)[c-]c4)cc(-c4ccccc4-c4c[c-]c(-c5cc(C)c(-c6ccc(F)cc6)cn5)cc4)c3)cc2)ncc1-c1ccc(F)cc1.[Ir+3].[Ir+3].

What is the InChIKey of 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))?

The InChIKey is RFIWCONCTUTVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C130H82F4N6.2Ir/c1-81-65-126(135-77-122(81)90-49-57-106(131)58-50-90)94-39-29-85(30-40-94)110-17-5-10-22-115(110)99-69-100(116-23-11-6-18-111(116)86-31-41-95(42-32-86)127-66-82(2)123(78-136-127)91-51-59-107(132)60-52-91)71-101(70-99)119-26-14-9-21-114(119)89-37-47-98(48-38-89)130-139-75-105(76-140-130)121-28-16-15-27-120(121)104-73-102(117-24-12-7-19-112(117)87-33-43-96(44-34-87)128-67-83(3)124(79-137-128)92-53-61-108(133)62-54-92)72-103(74-104)118-25-13-8-20-113(118)88-35-45-97(46-36-88)129-68-84(4)125(80-138-129)93-55-63-109(134)64-56-93;;/h5-39,41,43,45,49-80H,1-4H3;;/q-6;2*+3.

What are the key properties of 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+))?

5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+)) has a molecular weight of 2188.55 g/mol, XLogP of 33.65, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]-2-[4-[2-[3,5-bis[2-[4-[5-(4-fluorophenyl)-4-methyl-2-pyridinyl]benzene-5-id-1-yl]phenyl]phenyl]phenyl]benzene-2,6-diid-1-yl]pyrimidine;bis(iridium(3+)) is sourced from PubChem (CID 153448909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).