phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene

C30H23N4O3P — CID 155046277

IUPACphenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
SMILESO=P(Oc1ccc(/N=N/c2ccccc2)cc1)(Oc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H23N4O3P/c35-38(30-14-8-3-9-15-30,36-28-20-16-26(17-21-28)33-31-24-10-4-1-5-11-24)37-29-22-18-27(19-23-29)34-32-25-12-6-2-7-13-25/h1-23H/b33-31+,34-32+
InChIKeyFTGVEFWDEXWCRR-FMWAKIAMSA-N
MW518.51 g/mol
LogP9.49
Rot. Bonds9

About phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene

phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene (PubChem CID 155046277) has the molecular formula C30H23N4O3P and a molecular weight of 518.51 g/mol. Its IUPAC name is phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene.

Molecular Properties

Compound Namephenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
PubChem CID155046277
Molecular FormulaC30H23N4O3P
Molecular Weight518.51 g/mol
Exact Mass518.15
IUPAC Namephenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
SMILESO=P(Oc1ccc(/N=N/c2ccccc2)cc1)(Oc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H23N4O3P/c35-38(30-14-8-3-9-15-30,36-28-20-16-26(17-21-28)33-31-24-10-4-1-5-11-24)37-29-22-18-27(19-23-29)34-32-25-12-6-2-7-13-25/h1-23H/b33-31+,34-32+
InChIKeyFTGVEFWDEXWCRR-FMWAKIAMSA-N
XLogP9.49
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.51
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-phenyldiazenylphenyl) dihydrogen phosphate
CID 21275212
1-[phenyl-(4-prop-2-enoxyphenoxy)phosphoryl]oxy-4-prop-2-enoxybenzene
CID 141391310
2-[[4-[[4-(oxiran-2-ylmethyl)phenoxy]-phenylphosphoryl]oxyphenyl]methyl]oxirane
CID 141392945
[4-[2-[4-[phenoxy(phenyl)phosphoryl]oxyphenyl]propan-2-yl]phenyl] diphenyl phosphate
CID 59385619
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
bis(4-phenyldiazenylphenyl) sulfate
CID 174735060
phenyl bis(phenyldiazenyl) phosphate
CID 175035628
1-methyl-4-[(4-methylphenoxy)-(4-methylphenyl)phosphoryl]oxybenzene
CID 54463296
1-diphenoxyphosphoryl-4-ethynylbenzene
CID 141456920
sodium phenoxy(phenyl)phosphinate
CID 161254659
diphenyldiazene;hydrofluoride
CID 174857584
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene?
The IUPAC name of phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene (CID 155046277) is phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene.
What is the SMILES notation for phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene?
The canonical SMILES for phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene is O=P(Oc1ccc(/N=N/c2ccccc2)cc1)(Oc1ccc(/N=N/c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene?
The InChIKey is FTGVEFWDEXWCRR-FMWAKIAMSA-N. The full InChI is InChI=1S/C30H23N4O3P/c35-38(30-14-8-3-9-15-30,36-28-20-16-26(17-21-28)33-31-24-10-4-1-5-11-24)37-29-22-18-27(19-23-29)34-32-25-12-6-2-7-13-25/h1-23H/b33-31+,34-32+.
What are the key properties of phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene?
phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene has a molecular weight of 518.51 g/mol, XLogP of 9.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene is sourced from PubChem (CID 155046277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).