1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide

C30H27N3O3 — CID 70015173

IUPAC1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)NCc2ccccc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C30H27N3O3/c34-28(31-19-22-11-4-1-5-12-22)25-17-10-18-26(29(35)32-20-23-13-6-2-7-14-23)27(25)30(36)33-21-24-15-8-3-9-16-24/h1-18H,19-21H2,(H,31,34)(H,32,35)(H,33,36)
InChIKeyKEBSTNUHJMEYII-UHFFFAOYSA-N
MW477.56 g/mol
LogP4.48
Rot. Bonds9

About 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide

1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide (PubChem CID 70015173) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide.

Molecular Properties

Compound Name1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
PubChem CID70015173
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC Name1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
SMILESO=C(NCc1ccccc1)c1cccc(C(=O)NCc2ccccc2)c1C(=O)NCc1ccccc1
InChIInChI=1S/C30H27N3O3/c34-28(31-19-22-11-4-1-5-12-22)25-17-10-18-26(29(35)32-20-23-13-6-2-7-14-23)27(25)30(36)33-21-24-15-8-3-9-16-24/h1-18H,19-21H2,(H,31,34)(H,32,35)(H,33,36)
InChIKeyKEBSTNUHJMEYII-UHFFFAOYSA-N
XLogP4.48
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide?
The IUPAC name of 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide (CID 70015173) is 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide.
What is the SMILES notation for 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide?
The canonical SMILES for 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide is O=C(NCc1ccccc1)c1cccc(C(=O)NCc2ccccc2)c1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide?
The InChIKey is KEBSTNUHJMEYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c34-28(31-19-22-11-4-1-5-12-22)25-17-10-18-26(29(35)32-20-23-13-6-2-7-14-23)27(25)30(36)33-21-24-15-8-3-9-16-24/h1-18H,19-21H2,(H,31,34)(H,32,35)(H,33,36).
What are the key properties of 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide?
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide has a molecular weight of 477.56 g/mol, XLogP of 4.48, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide is sourced from PubChem (CID 70015173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).