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

C57H40IrN7O2- — CID 157108180

IUPACN,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
SMILES[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)o5)cc4)o3)cc2)cc1
InChIInChI=1S/C46H32N6O2.C11H8N.Ir/c1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-29-25-35(26-30-41)45-49-47-43(53-45)33-21-23-34(24-22-33)44-48-50-46(54-44)36-27-31-42(32-28-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-32H;1-6,8-9H;/q;-1;
InChIKeyRPNXYEFNBVTZNX-UHFFFAOYSA-N
MW1047.21 g/mol
LogP14.61
Rot. Bonds11

About 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

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 (PubChem CID 157108180) has the molecular formula C57H40IrN7O2- and a molecular weight of 1047.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID157108180
Molecular FormulaC57H40IrN7O2-
Molecular Weight1047.21 g/mol
Exact Mass1047.29
IUPAC NameN,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
SMILES[Ir].[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)o5)cc4)o3)cc2)cc1
InChIInChI=1S/C46H32N6O2.C11H8N.Ir/c1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-29-25-35(26-30-41)45-49-47-43(53-45)33-21-23-34(24-22-33)44-48-50-46(54-44)36-27-31-42(32-28-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-32H;1-6,8-9H;/q;-1;
InChIKeyRPNXYEFNBVTZNX-UHFFFAOYSA-N
XLogP14.61
TPSA97.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.21
LogP ≤ 514.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

iridium;2-phenylpyridine;2-phenyl-5-pyridin-2-yl-1,3,4-oxadiazole
CID 162475890
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
iridium;tris(2-phenylpyridine)
CID 23386734
acetic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163263
N,N-bis(4-methoxyphenyl)-4-[5-(4-pyridin-2-ylphenyl)-1,3,4-oxadiazol-2-yl]aniline
CID 101481951
iridium;N-(4-methylphenyl)-N-phenyl-3-pyridin-2-ylbenzene-4-id-1-amine
CID 140595043
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
CID 58225145
bis(chloroiridium(2+));tetrakis(2-phenylpyridine)
CID 54724512
chlorozinc(1+);2-phenylpyridine
CID 59773311
chloroplatinum(1+);2-phenylpyridine;2-phenylpyridine
CID 54698144
dichloroiridium(1+);tetrakis(2-phenylpyridine)
CID 175874187
formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [Ir].[c-]1ccccc1-c1ccccn1.c1ccc(N(c2ccccc2)c2ccc(-c3nnc(-c4ccc(-c5nnc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)o5)cc4)o3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is RPNXYEFNBVTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N6O2.C11H8N.Ir/c1-5-13-37(14-6-1)51(38-15-7-2-8-16-38)41-29-25-35(26-30-41)45-49-47-43(53-45)33-21-23-34(24-22-33)44-48-50-46(54-44)36-27-31-42(32-28-36)52(39-17-9-3-10-18-39)40-19-11-4-12-20-40;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-32H;1-6,8-9H;/q;-1;.
What are the key properties of 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?
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 has a molecular weight of 1047.21 g/mol, XLogP of 14.61, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157108180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).