1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)

C186H228B2Br2Ir2N6O6-2 — CID 161488980

About 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)

1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) (PubChem CID 161488980) has the molecular formula C186H228B2Br2Ir2N6O6-2 and a molecular weight of 3209.77 g/mol. Its IUPAC name is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium).

Molecular Properties

• Compound Name: 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)
• PubChem CID: 161488980
• Molecular Formula: C186H228B2Br2Ir2N6O6-2
• Molecular Weight: 3209.77 g/mol
• Exact Mass: 3207.55
• IUPAC Name: 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)
• SMILES: CCCCC(CC)COc1ccc(-c2cc(-c3ccc(OCC(CC)CCCC)cc3)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.CCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1.CCCCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc(N(c3ccc(Br)cc3)c3c(C)cc(CCCC)cc3C)cc2)c(C)c1.CCCc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(C)n1.[Ir].[Ir]
• InChI: InChI=1S/C61H88B2O4.C45H52NO2.C42H46Br2N2.C38H42N3.2Ir/c1-13-17-21-25-29-45-37-46(30-26-22-18-14-2)40-49(39-45)61(50-41-47(31-27-23-19-15-3)38-48(42-50)32-28-24-20-16-4)55-43-51(62-64-57(5,6)58(7,8)65-62)33-35-53(55)54-36-34-52(44-56(54)61)63-66-59(9,10)60(11,12)67-63;1-5-9-14-34(7-3)32-47-43-23-19-36(20-24-43)40-29-41(37-21-25-44(26-22-37)48-33-35(8-4)15-10-6-2)31-42(30-40)38-16-13-17-39(28-38)45-18-11-12-27-46-45;1-7-9-11-33-25-29(3)41(30(4)26-33)45(37-17-13-35(43)14-18-37)39-21-23-40(24-22-39)46(38-19-15-36(44)16-20-38)42-31(5)27-34(12-10-8-2)28-32(42)6;1-9-11-35-39-36(41(8)40-35)29-13-10-12-28(22-29)32-24-30(26-14-18-33(19-15-26)37(2,3)4)23-31(25-32)27-16-20-34(21-17-27)38(5,6)7;;/h33-44H,13-32H2,1-12H3;11-13,16,18-31,34-35H,5-10,14-15,32-33H2,1-4H3;13-28H,7-12H2,1-6H3;10,12,14-25H,9,11H2,1-8H3;;/q;-1;;-1
• InChIKey: MYHQKEKTHSGYIT-UHFFFAOYSA-N
• XLogP: 51.78
• TPSA: 105.46 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 60
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3209.77
LogP ≤ 5	51.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)?

The IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) (CID 161488980) is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium).

What is the SMILES notation for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)?

The canonical SMILES for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) is CCCCC(CC)COc1ccc(-c2cc(-c3ccc(OCC(CC)CCCC)cc3)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.CCCCCCc1cc(CCCCCC)cc(C2(c3cc(CCCCCC)cc(CCCCCC)c3)c3cc(B4OC(C)(C)C(C)(C)O4)ccc3-c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)c1.CCCCc1cc(C)c(N(c2ccc(Br)cc2)c2ccc(N(c3ccc(Br)cc3)c3c(C)cc(CCCC)cc3C)cc2)c(C)c1.CCCc1nc(-c2[c-]ccc(-c3cc(-c4ccc(C(C)(C)C)cc4)cc(-c4ccc(C(C)(C)C)cc4)c3)c2)n(C)n1.[Ir].[Ir].

What is the InChIKey of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)?

The InChIKey is MYHQKEKTHSGYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H88B2O4.C45H52NO2.C42H46Br2N2.C38H42N3.2Ir/c1-13-17-21-25-29-45-37-46(30-26-22-18-14-2)40-49(39-45)61(50-41-47(31-27-23-19-15-3)38-48(42-50)32-28-24-20-16-4)55-43-51(62-64-57(5,6)58(7,8)65-62)33-35-53(55)54-36-34-52(44-56(54)61)63-66-59(9,10)60(11,12)67-63;1-5-9-14-34(7-3)32-47-43-23-19-36(20-24-43)40-29-41(37-21-25-44(26-22-37)48-33-35(8-4)15-10-6-2)31-42(30-40)38-16-13-17-39(28-38)45-18-11-12-27-46-45;1-7-9-11-33-25-29(3)41(30(4)26-33)45(37-17-13-35(43)14-18-37)39-21-23-40(24-22-39)46(38-19-15-36(44)16-20-38)42-31(5)27-34(12-10-8-2)28-32(42)6;1-9-11-35-39-36(41(8)40-35)29-13-10-12-28(22-29)32-24-30(26-14-18-33(19-15-26)37(2,3)4)23-31(25-32)27-16-20-34(21-17-27)38(5,6)7;;/h33-44H,13-32H2,1-12H3;11-13,16,18-31,34-35H,5-10,14-15,32-33H2,1-4H3;13-28H,7-12H2,1-6H3;10,12,14-25H,9,11H2,1-8H3;;/q;-1;;-1;;.

What are the key properties of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium)?

1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) has a molecular weight of 3209.77 g/mol, XLogP of 51.78, 60 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;5-[3-[3,5-bis(4-tert-butylphenyl)phenyl]benzene-6-id-1-yl]-1-methyl-3-propyl-1,2,4-triazole;2-[9,9-bis(3,5-dihexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2-[3-[3,5-bis[4-(2-ethylhexoxy)phenyl]phenyl]benzene-6-id-1-yl]pyridine;bis(iridium) is sourced from PubChem (CID 161488980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).