tris[2-(phenylcarbamoyl)phenyl] phosphate

C39H30N3O7P — CID 121416140

IUPACtris[2-(phenylcarbamoyl)phenyl] phosphate
SMILESO=C(Nc1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1C(=O)Nc1ccccc1)Oc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C39H30N3O7P/c43-37(40-28-16-4-1-5-17-28)31-22-10-13-25-34(31)47-50(46,48-35-26-14-11-23-32(35)38(44)41-29-18-6-2-7-19-29)49-36-27-15-12-24-33(36)39(45)42-30-20-8-3-9-21-30/h1-27H,(H,40,43)(H,41,44)(H,42,45)
InChIKeyZHPTWEBPKYJURE-UHFFFAOYSA-N
MW683.66 g/mol
LogP9.09
Rot. Bonds12

About tris[2-(phenylcarbamoyl)phenyl] phosphate

tris[2-(phenylcarbamoyl)phenyl] phosphate (PubChem CID 121416140) has the molecular formula C39H30N3O7P and a molecular weight of 683.66 g/mol. Its IUPAC name is tris[2-(phenylcarbamoyl)phenyl] phosphate.

Molecular Properties

Compound Nametris[2-(phenylcarbamoyl)phenyl] phosphate
PubChem CID121416140
Molecular FormulaC39H30N3O7P
Molecular Weight683.66 g/mol
Exact Mass683.18
IUPAC Nametris[2-(phenylcarbamoyl)phenyl] phosphate
SMILESO=C(Nc1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1C(=O)Nc1ccccc1)Oc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C39H30N3O7P/c43-37(40-28-16-4-1-5-17-28)31-22-10-13-25-34(31)47-50(46,48-35-26-14-11-23-32(35)38(44)41-29-18-6-2-7-19-29)49-36-27-15-12-24-33(36)39(45)42-30-20-8-3-9-21-30/h1-27H,(H,40,43)(H,41,44)(H,42,45)
InChIKeyZHPTWEBPKYJURE-UHFFFAOYSA-N
XLogP9.09
TPSA132.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.66
LogP ≤ 59.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

dibenzyl [2-(phenylcarbamoyl)phenyl] phosphate
CID 121427861
2-bis(2-carboxyphenoxy)phosphoryloxybenzoic acid
CID 23615741
2-phenoxy-N-phenylbenzamide
CID 3402306
2-naphthalen-1-ylperoxy-N-phenylbenzamide
CID 57106650
2-hydroxy-N-phenylbenzamide
CID 157209959
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
2-hydroxy-N-phenylbenzamide chloride
CID 19021936
trimethyl-[2-(phenylcarbamoyl)phenyl]phosphanium
CID 102451163
2-[2-oxo-2-(2-phenylethylamino)ethoxy]-N-phenylbenzamide
CID 2535242
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583
2-phenoxy-N-(4-phenylphenyl)benzamide
CID 7926007

Frequently Asked Questions

What is the IUPAC name of tris[2-(phenylcarbamoyl)phenyl] phosphate?
The IUPAC name of tris[2-(phenylcarbamoyl)phenyl] phosphate (CID 121416140) is tris[2-(phenylcarbamoyl)phenyl] phosphate.
What is the SMILES notation for tris[2-(phenylcarbamoyl)phenyl] phosphate?
The canonical SMILES for tris[2-(phenylcarbamoyl)phenyl] phosphate is O=C(Nc1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1C(=O)Nc1ccccc1)Oc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of tris[2-(phenylcarbamoyl)phenyl] phosphate?
The InChIKey is ZHPTWEBPKYJURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N3O7P/c43-37(40-28-16-4-1-5-17-28)31-22-10-13-25-34(31)47-50(46,48-35-26-14-11-23-32(35)38(44)41-29-18-6-2-7-19-29)49-36-27-15-12-24-33(36)39(45)42-30-20-8-3-9-21-30/h1-27H,(H,40,43)(H,41,44)(H,42,45).
What are the key properties of tris[2-(phenylcarbamoyl)phenyl] phosphate?
tris[2-(phenylcarbamoyl)phenyl] phosphate has a molecular weight of 683.66 g/mol, XLogP of 9.09, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(phenylcarbamoyl)phenyl] phosphate is sourced from PubChem (CID 121416140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).