4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline

C60H48N2OP4 — CID 118584651

IUPAC4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline
SMILESc1ccc(P(c2ccccc2)N(c2ccc(Oc3ccc(N(P(c4ccccc4)c4ccccc4)P(c4ccccc4)c4ccccc4)cc3)cc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C60H48N2OP4/c1-9-25-53(26-10-1)64(54-27-11-2-12-28-54)61(65(55-29-13-3-14-30-55)56-31-15-4-16-32-56)49-41-45-51(46-42-49)63-52-47-43-50(44-48-52)62(66(57-33-17-5-18-34-57)58-35-19-6-20-36-58)67(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-48H
InChIKeyZCDBSOZXJRXIQF-UHFFFAOYSA-N
MW936.95 g/mol
LogP13.28
Rot. Bonds16

About 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline

4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline (PubChem CID 118584651) has the molecular formula C60H48N2OP4 and a molecular weight of 936.95 g/mol. Its IUPAC name is 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline.

Molecular Properties

Compound Name4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline
PubChem CID118584651
Molecular FormulaC60H48N2OP4
Molecular Weight936.95 g/mol
Exact Mass936.27
IUPAC Name4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline
SMILESc1ccc(P(c2ccccc2)N(c2ccc(Oc3ccc(N(P(c4ccccc4)c4ccccc4)P(c4ccccc4)c4ccccc4)cc3)cc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C60H48N2OP4/c1-9-25-53(26-10-1)64(54-27-11-2-12-28-54)61(65(55-29-13-3-14-30-55)56-31-15-4-16-32-56)49-41-45-51(46-42-49)63-52-47-43-50(44-48-52)62(66(57-33-17-5-18-34-57)58-35-19-6-20-36-58)67(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-48H
InChIKeyZCDBSOZXJRXIQF-UHFFFAOYSA-N
XLogP13.28
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.95
LogP ≤ 513.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(diphenylphosphanyl)benzene-1,4-diamine
CID 11423026
N,N-bis(diphenylphosphanyl)-4-ethenylaniline
CID 130350038
N,N-bis(diphenylphosphanyl)-3,4-dimethoxyaniline
CID 101498808
CID 159259752
CID 159259752
4-N-[4-(4-amino-N-(4-phenoxyphenyl)anilino)phenyl]-4-N-(4-phenoxyphenyl)benzene-1,4-diamine
CID 89202314
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
N-phenyl-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-3-tritioaniline
CID 59196878
1-N,4-N-diphenyl-1-N-[4-[4-(N-phenylanilino)phenoxy]phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine
CID 59197003
2-[4-[4-(2-diphenylphosphanylethyl)phenoxy]phenyl]ethyl-diphenylphosphane
CID 11767136
N-methyl-4-[4-[methyl(phenylsulfanyl)amino]phenoxy]-N-phenylsulfanylaniline
CID 175153964

Frequently Asked Questions

What is the IUPAC name of 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline?
The IUPAC name of 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline (CID 118584651) is 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline.
What is the SMILES notation for 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline?
The canonical SMILES for 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline is c1ccc(P(c2ccccc2)N(c2ccc(Oc3ccc(N(P(c4ccccc4)c4ccccc4)P(c4ccccc4)c4ccccc4)cc3)cc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline?
The InChIKey is ZCDBSOZXJRXIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N2OP4/c1-9-25-53(26-10-1)64(54-27-11-2-12-28-54)61(65(55-29-13-3-14-30-55)56-31-15-4-16-32-56)49-41-45-51(46-42-49)63-52-47-43-50(44-48-52)62(66(57-33-17-5-18-34-57)58-35-19-6-20-36-58)67(59-37-21-7-22-38-59)60-39-23-8-24-40-60/h1-48H.
What are the key properties of 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline?
4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline has a molecular weight of 936.95 g/mol, XLogP of 13.28, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[bis(diphenylphosphanyl)amino]phenoxy]-N,N-bis(diphenylphosphanyl)aniline is sourced from PubChem (CID 118584651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).