2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine

C144H120Ir2N4-4 — CID 157424929

About 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine

2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine (PubChem CID 157424929) has the molecular formula C144H120Ir2N4-4 and a molecular weight of 2291.01 g/mol. Its IUPAC name is 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
• PubChem CID: 157424929
• Molecular Formula: C144H120Ir2N4-4
• Molecular Weight: 2291.01 g/mol
• Exact Mass: 2290.88
• IUPAC Name: 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine
• SMILES: Cc1cc(-c2cccc(-c3cccc(CCCCCCc4ccccc4)c3)c2)cc(C)c1-c1cc[c-]c(-c2ccccn2)c1.Cc1cc(-c2cccc(-c3ccccc3)c2)cc(C)c1-c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[c-]1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cccc(CCCCCCc4ccccc4)c3)c2)cc1-c1ccccn1
• InChI: InChI=1S/C43H40N.C35H24N.C35H32N.C31H24N.2Ir/c1-32-27-41(28-33(2)43(32)40-24-14-23-39(31-40)42-25-10-11-26-44-42)38-22-13-21-37(30-38)36-20-12-19-35(29-36)18-7-4-3-6-15-34-16-8-5-9-17-34;1-2-9-26(10-3-1)29-11-6-14-32(23-29)33-15-7-12-30(24-33)27-18-20-28(21-19-27)31-13-8-16-34(25-31)35-17-4-5-22-36-35;1(4-13-28-14-6-3-7-15-28)2-5-16-29-17-10-18-30(25-29)31-19-11-20-32(26-31)33-21-12-22-34(27-33)35-23-8-9-24-36-35;1-22-18-29(26-13-8-12-25(20-26)24-10-4-3-5-11-24)19-23(2)31(22)28-15-9-14-27(21-28)30-16-6-7-17-32-30;;/h5,8-14,16-17,19-22,24-31H,3-4,6-7,15,18H2,1-2H3;1-15,17-25H;3,6-12,14-15,17-21,23-27H,1-2,4-5,13,16H2;3-13,15-21H,1-2H3;;/q4*-1
• InChIKey: QCFVHRBSCFBBSO-UHFFFAOYSA-N
• XLogP: 38.12
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 30
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2291.01
LogP ≤ 5	38.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?

The IUPAC name of 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine (CID 157424929) is 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?

The canonical SMILES for 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine is Cc1cc(-c2cccc(-c3cccc(CCCCCCc4ccccc4)c3)c2)cc(C)c1-c1cc[c-]c(-c2ccccn2)c1.Cc1cc(-c2cccc(-c3ccccc3)c2)cc(C)c1-c1cc[c-]c(-c2ccccn2)c1.[Ir].[Ir].[c-]1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)cc2)cc1-c1ccccn1.[c-]1ccc(-c2cccc(-c3cccc(CCCCCCc4ccccc4)c3)c2)cc1-c1ccccn1.

What is the InChIKey of 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?

The InChIKey is QCFVHRBSCFBBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H40N.C35H24N.C35H32N.C31H24N.2Ir/c1-32-27-41(28-33(2)43(32)40-24-14-23-39(31-40)42-25-10-11-26-44-42)38-22-13-21-37(30-38)36-20-12-19-35(29-36)18-7-4-3-6-15-34-16-8-5-9-17-34;1-2-9-26(10-3-1)29-11-6-14-32(23-29)33-15-7-12-30(24-33)27-18-20-28(21-19-27)31-13-8-16-34(25-31)35-17-4-5-22-36-35;1(4-13-28-14-6-3-7-15-28)2-5-16-29-17-10-18-30(25-29)31-19-11-20-32(26-31)33-21-12-22-34(27-33)35-23-8-9-24-36-35;1-22-18-29(26-13-8-12-25(20-26)24-10-4-3-5-11-24)19-23(2)31(22)28-15-9-14-27(21-28)30-16-6-7-17-32-30;;/h5,8-14,16-17,19-22,24-31H,3-4,6-7,15,18H2,1-2H3;1-15,17-25H;3,6-12,14-15,17-21,23-27H,1-2,4-5,13,16H2;3-13,15-21H,1-2H3;;/q4*-1;;.

What are the key properties of 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine?

2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine has a molecular weight of 2291.01 g/mol, XLogP of 38.12, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2,6-dimethyl-4-[3-[3-(6-phenylhexyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2,6-dimethyl-4-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine;bis(iridium);2-[3-[3-[3-(6-phenylhexyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 157424929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).