[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate

C48H33N3O12 — CID 118047320

IUPAC[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC(=O)Oc4ccccc4)cc3)cc(C(=O)Nc3ccc(OC(=O)Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C48H33N3O12/c52-43(49-34-16-22-40(23-17-34)61-46(55)58-37-10-4-1-5-11-37)31-28-32(44(53)50-35-18-24-41(25-19-35)62-47(56)59-38-12-6-2-7-13-38)30-33(29-31)45(54)51-36-20-26-42(27-21-36)63-48(57)60-39-14-8-3-9-15-39/h1-30H,(H,49,52)(H,50,53)(H,51,54)
InChIKeyJEUWGGWGISASIR-UHFFFAOYSA-N
MW843.80 g/mol
LogP10.18
Rot. Bonds12

About [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate

[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate (PubChem CID 118047320) has the molecular formula C48H33N3O12 and a molecular weight of 843.80 g/mol. Its IUPAC name is [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate.

Molecular Properties

Compound Name[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate
PubChem CID118047320
Molecular FormulaC48H33N3O12
Molecular Weight843.80 g/mol
Exact Mass843.21
IUPAC Name[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate
SMILESO=C(Oc1ccccc1)Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC(=O)Oc4ccccc4)cc3)cc(C(=O)Nc3ccc(OC(=O)Oc4ccccc4)cc3)c2)cc1
InChIInChI=1S/C48H33N3O12/c52-43(49-34-16-22-40(23-17-34)61-46(55)58-37-10-4-1-5-11-37)31-28-32(44(53)50-35-18-24-41(25-19-35)62-47(56)59-38-12-6-2-7-13-38)30-33(29-31)45(54)51-36-20-26-42(27-21-36)63-48(57)60-39-14-8-3-9-15-39/h1-30H,(H,49,52)(H,50,53)(H,51,54)
InChIKeyJEUWGGWGISASIR-UHFFFAOYSA-N
XLogP10.18
TPSA193.89 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.80
LogP ≤ 510.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[3,5-bis[(4-phenoxycarbonyloxybenzoyl)amino]benzoyl]amino]phenyl] phenyl carbonate
CID 118047331
(4-phenoxycarbonyloxyphenyl) 3-[(4-phenoxycarbonyloxybenzoyl)amino]-5-[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoate
CID 118041941
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
(4-benzamidophenyl) benzoate
CID 569583
(4-benzamidophenyl) acetate
CID 34734144
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
[4-[2-[3,5-bis[(4-phenoxycarbonyloxybenzoyl)amino]phenyl]-2-oxoethyl]phenyl] phenyl carbonate
CID 158988199
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
3,5-dichloro-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 17133532
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
[4-(4-phenoxycarbonyloxyphenyl)phenyl] phenyl carbonate
CID 143295310

Frequently Asked Questions

What is the IUPAC name of [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate?
The IUPAC name of [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate (CID 118047320) is [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate.
What is the SMILES notation for [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate?
The canonical SMILES for [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate is O=C(Oc1ccccc1)Oc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC(=O)Oc4ccccc4)cc3)cc(C(=O)Nc3ccc(OC(=O)Oc4ccccc4)cc3)c2)cc1.
What is the InChIKey of [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate?
The InChIKey is JEUWGGWGISASIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N3O12/c52-43(49-34-16-22-40(23-17-34)61-46(55)58-37-10-4-1-5-11-37)31-28-32(44(53)50-35-18-24-41(25-19-35)62-47(56)59-38-12-6-2-7-13-38)30-33(29-31)45(54)51-36-20-26-42(27-21-36)63-48(57)60-39-14-8-3-9-15-39/h1-30H,(H,49,52)(H,50,53)(H,51,54).
What are the key properties of [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate?
[4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate has a molecular weight of 843.80 g/mol, XLogP of 10.18, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3,5-bis[(4-phenoxycarbonyloxyphenyl)carbamoyl]benzoyl]amino]phenyl] phenyl carbonate is sourced from PubChem (CID 118047320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).