[3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate

C83H66N4O12 — CID 158997187

IUPAC[3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate
SMILESCc1ccc(-c2ccc(-c3cc(OC=O)cc(C(N)=O)c3)cc2)cc1.Cc1ccc(-c2cccc(-c3cc(OC=O)cc(C(N)=O)c3)c2)cc1.Cc1cccc(-c2cccc(-c3cc(OC=O)cc(C(N)=O)c3)c2)c1.NC(=O)c1cc(OC=O)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/3C21H17NO3.C20H15NO3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-19(21(22)24)12-20(11-18)25-13-23;1-14-4-2-5-15(8-14)16-6-3-7-17(9-16)18-10-19(21(22)24)12-20(11-18)25-13-23;1-14-5-7-15(8-6-14)16-3-2-4-17(9-16)18-10-19(21(22)24)12-20(11-18)25-13-23;21-20(23)18-10-17(11-19(12-18)24-13-22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h3*2-13H,1H3,(H2,22,24);1-13H,(H2,21,23)
InChIKeyJQWNFPTYDSLGLD-UHFFFAOYSA-N
MW1311.46 g/mol
LogP15.54
Rot. Bonds20

About [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate

[3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate (PubChem CID 158997187) has the molecular formula C83H66N4O12 and a molecular weight of 1311.46 g/mol. Its IUPAC name is [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate.

Molecular Properties

Compound Name[3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate
PubChem CID158997187
Molecular FormulaC83H66N4O12
Molecular Weight1311.46 g/mol
Exact Mass1310.47
IUPAC Name[3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate
SMILESCc1ccc(-c2ccc(-c3cc(OC=O)cc(C(N)=O)c3)cc2)cc1.Cc1ccc(-c2cccc(-c3cc(OC=O)cc(C(N)=O)c3)c2)cc1.Cc1cccc(-c2cccc(-c3cc(OC=O)cc(C(N)=O)c3)c2)c1.NC(=O)c1cc(OC=O)cc(-c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/3C21H17NO3.C20H15NO3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-19(21(22)24)12-20(11-18)25-13-23;1-14-4-2-5-15(8-14)16-6-3-7-17(9-16)18-10-19(21(22)24)12-20(11-18)25-13-23;1-14-5-7-15(8-6-14)16-3-2-4-17(9-16)18-10-19(21(22)24)12-20(11-18)25-13-23;21-20(23)18-10-17(11-19(12-18)24-13-22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h3*2-13H,1H3,(H2,22,24);1-13H,(H2,21,23)
InChIKeyJQWNFPTYDSLGLD-UHFFFAOYSA-N
XLogP15.54
TPSA277.56 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001311.46
LogP ≤ 515.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate 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

3-(3,5-diformyloxyphenyl)-5-methylbenzoic acid;3-formyloxy-5-methylbenzoic acid
CID 159615570
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
dimethyl 5-[3-(4-methylphenyl)phenyl]benzene-1,3-dicarboxylate
CID 15533553
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
ethane;methane;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-phenylethanone
CID 160788394
3-(difluoromethoxy)-5-(3-methylphenyl)benzoic acid
CID 171382796
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907

Frequently Asked Questions

What is the IUPAC name of [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate?
The IUPAC name of [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate (CID 158997187) is [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate.
What is the SMILES notation for [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate?
The canonical SMILES for [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate is Cc1ccc(-c2ccc(-c3cc(OC=O)cc(C(N)=O)c3)cc2)cc1.Cc1ccc(-c2cccc(-c3cc(OC=O)cc(C(N)=O)c3)c2)cc1.Cc1cccc(-c2cccc(-c3cc(OC=O)cc(C(N)=O)c3)c2)c1.NC(=O)c1cc(OC=O)cc(-c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate?
The InChIKey is JQWNFPTYDSLGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H17NO3.C20H15NO3/c1-14-2-4-15(5-3-14)16-6-8-17(9-7-16)18-10-19(21(22)24)12-20(11-18)25-13-23;1-14-4-2-5-15(8-14)16-6-3-7-17(9-16)18-10-19(21(22)24)12-20(11-18)25-13-23;1-14-5-7-15(8-6-14)16-3-2-4-17(9-16)18-10-19(21(22)24)12-20(11-18)25-13-23;21-20(23)18-10-17(11-19(12-18)24-13-22)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h3*2-13H,1H3,(H2,22,24);1-13H,(H2,21,23).
What are the key properties of [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate?
[3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate has a molecular weight of 1311.46 g/mol, XLogP of 15.54, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [3-carbamoyl-5-[3-(3-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[3-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-[4-(4-methylphenyl)phenyl]phenyl] formate;[3-carbamoyl-5-(4-phenylphenyl)phenyl] formate is sourced from PubChem (CID 158997187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).