1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine)

C150H120Ir2N12-4 — CID 59800904

About 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine)

1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine) (PubChem CID 59800904) has the molecular formula C150H120Ir2N12-4 and a molecular weight of 2475.13 g/mol. Its IUPAC name is 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine).

Molecular Properties

• Compound Name: 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine)
• PubChem CID: 59800904
• Molecular Formula: C150H120Ir2N12-4
• Molecular Weight: 2475.13 g/mol
• Exact Mass: 2474.90
• IUPAC Name: 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine)
• SMILES: C=Cc1ccc(N(c2ccc(N(c3cc[c-]cc3)c3cccc4ccccc34)cc2)c2ccc(N(c3cc[c-]c(-c4ccccn4)c3)c3cccc4ccccc34)cc2)cc1.CCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(N(c3cc[c-]c(-c4ccccn4)c3)c3cccc4ccccc34)cc2)cc1.CN(c1cc[c-]cc1)c1cccc2ccccc12.[Ir].[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccncc1.c1ccncc1
• InChI: InChI=1S/C57H40N4.C44H38N3.C17H14N.2C11H9N.2C5H5N.2Ir/c1-2-42-28-30-47(31-29-42)59(48-32-36-50(37-33-48)60(46-20-4-3-5-21-46)56-26-13-17-43-15-6-8-23-53(43)56)49-34-38-51(39-35-49)61(57-27-14-18-44-16-7-9-24-54(44)57)52-22-12-19-45(41-52)55-25-10-11-40-58-55;1-4-33(3)34-20-24-38(25-21-34)46(37-22-18-32(2)19-23-37)39-26-28-40(29-27-39)47(44-17-10-12-35-11-5-6-15-42(35)44)41-14-9-13-36(31-41)43-16-7-8-30-45-43;1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-4-6-5-3-1;;/h2,4-18,20-41H,1H2;5-12,14-31,33H,4H2,1-3H3;3-13H,1H3;2*1-9H;2*1-5H;;/q-2;2*-1
• InChIKey: QUGFJJPAHVHSPM-UHFFFAOYSA-N
• XLogP: 40.23
• TPSA: 96.78 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2475.13
LogP ≤ 5	40.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine)?

The IUPAC name of 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine) (CID 59800904) is 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine).

What is the SMILES notation for 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine)?

The canonical SMILES for 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine) is C=Cc1ccc(N(c2ccc(N(c3cc[c-]cc3)c3cccc4ccccc34)cc2)c2ccc(N(c3cc[c-]c(-c4ccccn4)c3)c3cccc4ccccc34)cc2)cc1.CCC(C)c1ccc(N(c2ccc(C)cc2)c2ccc(N(c3cc[c-]c(-c4ccccn4)c3)c3cccc4ccccc34)cc2)cc1.CN(c1cc[c-]cc1)c1cccc2ccccc12.[Ir].[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1.c1ccncc1.c1ccncc1.

What is the InChIKey of 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine)?

The InChIKey is QUGFJJPAHVHSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N4.C44H38N3.C17H14N.2C11H9N.2C5H5N.2Ir/c1-2-42-28-30-47(31-29-42)59(48-32-36-50(37-33-48)60(46-20-4-3-5-21-46)56-26-13-17-43-15-6-8-23-53(43)56)49-34-38-51(39-35-49)61(57-27-14-18-44-16-7-9-24-54(44)57)52-22-12-19-45(41-52)55-25-10-11-40-58-55;1-4-33(3)34-20-24-38(25-21-34)46(37-22-18-32(2)19-23-37)39-26-28-40(29-27-39)47(44-17-10-12-35-11-5-6-15-42(35)44)41-14-9-13-36(31-41)43-16-7-8-30-45-43;1-18(15-10-3-2-4-11-15)17-13-7-9-14-8-5-6-12-16(14)17;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-4-6-5-3-1;;/h2,4-18,20-41H,1H2;5-12,14-31,33H,4H2,1-3H3;3-13H,1H3;2*1-9H;2*1-5H;;/q-2;2*-1;;;;;;.

What are the key properties of 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine)?

1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine) has a molecular weight of 2475.13 g/mol, XLogP of 40.23, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(4-butan-2-ylphenyl)-1-N-(4-methylphenyl)-4-N-naphthalen-1-yl-4-N-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-diamine;1-N-(4-ethenylphenyl)-4-N-naphthalen-1-yl-1-N-[4-[naphthalen-1-yl-(3-pyridin-2-ylbenzene-4-id-1-yl)amino]phenyl]-4-N-phenylbenzene-1,4-diamine;bis(iridium);N-methyl-N-phenylnaphthalen-1-amine;bis(2-phenylpyridine);bis(pyridine) is sourced from PubChem (CID 59800904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).