deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene

C99H74IrN3P-2 — CID 162045010

About deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene

deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene (PubChem CID 162045010) has the molecular formula C99H74IrN3P-2 and a molecular weight of 1529.90 g/mol. Its IUPAC name is deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene.

Molecular Properties

• Compound Name: deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
• PubChem CID: 162045010
• Molecular Formula: C99H74IrN3P-2
• Molecular Weight: 1529.90 g/mol
• Exact Mass: 1529.53
• IUPAC Name: deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
• SMILES: Cc1ccc[c-]c1-c1[c-]cccc1.[H]/P=N/[2H].[H][H].[Ir].c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
• InChI: InChI=1S/C44H32N2.C42H28.C13H10.Ir.H2NP.H2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-2-10-29(11-3-1)30-20-22-31(23-21-30)32-12-8-13-33(26-32)34-14-9-15-35(27-34)36-24-25-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)42(41)28-36;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;;1-2;/h1-32H;1-28H;2-8H,1H3;;1-2H;1H/q;;-2;;;/i/hD
• InChIKey: YSCYNNUYNGIENX-DYCDLGHISA-N
• XLogP: 28.81
• TPSA: 30.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1529.90
LogP ≤ 5	28.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?

The IUPAC name of deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene (CID 162045010) is deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene.

What is the SMILES notation for deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?

The canonical SMILES for deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene is Cc1ccc[c-]c1-c1[c-]cccc1.[H]/P=N/[2H].[H][H].[Ir].c1ccc(-c2ccc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)c3)cc2)cc1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.

What is the InChIKey of deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?

The InChIKey is YSCYNNUYNGIENX-DYCDLGHISA-N. The full InChI is InChI=1S/C44H32N2.C42H28.C13H10.Ir.H2NP.H2/c1-3-17-37(18-4-1)45(43-23-11-15-35-13-7-9-21-41(35)43)39-29-25-33(26-30-39)34-27-31-40(32-28-34)46(38-19-5-2-6-20-38)44-24-12-16-36-14-8-10-22-42(36)44;1-2-10-29(11-3-1)30-20-22-31(23-21-30)32-12-8-13-33(26-32)34-14-9-15-35(27-34)36-24-25-41-39-18-5-4-16-37(39)38-17-6-7-19-40(38)42(41)28-36;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;;1-2;/h1-32H;1-28H;2-8H,1H3;;1-2H;1H/q;;-2;;;/i/hD.

What are the key properties of deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene?

deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene has a molecular weight of 1529.90 g/mol, XLogP of 28.81, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for deuterioiminophosphane;iridium;1-methyl-2-phenylbenzene-3-ide;molecular hydrogen;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene is sourced from PubChem (CID 162045010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).