deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine

C72H54IrN5P-2 — CID 159484611

IUPACdeuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine
SMILES[H]/P=N/[2H].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C44H32N2.C17H12N.C11H8N.Ir.H2NP/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;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;1-2/h1-32H;1-9,11-13H;1-6,8-9H;;1-2H/q;2*-1;;/i/hD
InChIKeyFUPWYVPBUJQECU-DYCDLGHISA-N
MW1213.46 g/mol
LogP20.25
Rot. Bonds10

About deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine

deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine (PubChem CID 159484611) has the molecular formula C72H54IrN5P-2 and a molecular weight of 1213.46 g/mol. Its IUPAC name is deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine.

Molecular Properties

Compound Namedeuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine
PubChem CID159484611
Molecular FormulaC72H54IrN5P-2
Molecular Weight1213.46 g/mol
Exact Mass1213.38
IUPAC Namedeuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine
SMILES[H]/P=N/[2H].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C44H32N2.C17H12N.C11H8N.Ir.H2NP/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;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;1-2/h1-32H;1-9,11-13H;1-6,8-9H;;1-2H/q;2*-1;;/i/hD
InChIKeyFUPWYVPBUJQECU-DYCDLGHISA-N
XLogP20.25
TPSA56.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.46
LogP ≤ 520.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 159557209
CID 159557209
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
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CID 159344194
4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylbenzene-4-id-1-yl)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-(3-pyridin-2-ylphenyl)phenyl]aniline;iridium;2-phenylpyridine
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iridium;9-[3-(3-phenanthren-9-ylphenyl)phenyl]phenanthrene;2-phenylpyridine
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CID 166859975
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 59650467
N,N-diphenyl-4-[5-[4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]aniline;iridium;2-phenylpyridine
CID 157108180

Frequently Asked Questions

What is the IUPAC name of deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine?
The IUPAC name of deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine (CID 159484611) is deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine.
What is the SMILES notation for deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine?
The canonical SMILES for deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine is [H]/P=N/[2H].[Ir].[c-]1ccccc1-c1cc(-c2ccccc2)ccn1.[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine?
The InChIKey is FUPWYVPBUJQECU-DYCDLGHISA-N. The full InChI is InChI=1S/C44H32N2.C17H12N.C11H8N.Ir.H2NP/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;1-3-7-14(8-4-1)16-11-12-18-17(13-16)15-9-5-2-6-10-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;;1-2/h1-32H;1-9,11-13H;1-6,8-9H;;1-2H/q;2*-1;;/i/hD.
What are the key properties of deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine?
deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine has a molecular weight of 1213.46 g/mol, XLogP of 20.25, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioiminophosphane;iridium;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-phenyl-2-phenylpyridine;2-phenylpyridine is sourced from PubChem (CID 159484611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).