2,6-bis(4-anilinophenyl)benzamide

C31H25N3O — CID 174976653

IUPAC2,6-bis(4-anilinophenyl)benzamide
SMILESNC(=O)c1c(-c2ccc(Nc3ccccc3)cc2)cccc1-c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C31H25N3O/c32-31(35)30-28(22-14-18-26(19-15-22)33-24-8-3-1-4-9-24)12-7-13-29(30)23-16-20-27(21-17-23)34-25-10-5-2-6-11-25/h1-21,33-34H,(H2,32,35)
InChIKeyYXIMTYDKIVSEEQ-UHFFFAOYSA-N
MW455.56 g/mol
LogP7.61
Rot. Bonds7

About 2,6-bis(4-anilinophenyl)benzamide

2,6-bis(4-anilinophenyl)benzamide (PubChem CID 174976653) has the molecular formula C31H25N3O and a molecular weight of 455.56 g/mol. Its IUPAC name is 2,6-bis(4-anilinophenyl)benzamide.

Molecular Properties

Compound Name2,6-bis(4-anilinophenyl)benzamide
PubChem CID174976653
Molecular FormulaC31H25N3O
Molecular Weight455.56 g/mol
Exact Mass455.20
IUPAC Name2,6-bis(4-anilinophenyl)benzamide
SMILESNC(=O)c1c(-c2ccc(Nc3ccccc3)cc2)cccc1-c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C31H25N3O/c32-31(35)30-28(22-14-18-26(19-15-22)33-24-8-3-1-4-9-24)12-7-13-29(30)23-16-20-27(21-17-23)34-25-10-5-2-6-11-25/h1-21,33-34H,(H2,32,35)
InChIKeyYXIMTYDKIVSEEQ-UHFFFAOYSA-N
XLogP7.61
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 57.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-anilinophenyl)benzamide
CID 174939572
2,6-bis(4-methylphenyl)benzamide
CID 11301076
2-nitro-6-phenylbenzamide
CID 139649407
5-amino-3-anilino-1H-pyrazole-4-carboxamide
CID 2357212
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924
3-hydroxy-6-phenylbenzene-1,2-dicarboxamide
CID 68648251
2-amino-1-[4-(4-anilinophenyl)phenyl]ethanone
CID 67905535
6-(3-anilinophenyl)pyridine-3-carboxamide
CID 174715088
4-(3-anilino-4-pyridinyl)benzamide
CID 175853100
hydrazine;N-phenylaniline
CID 159755629
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
11-(4-anilinophenyl)tricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,10,12-hexaene-2,9-dione
CID 142661491

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-anilinophenyl)benzamide?
The IUPAC name of 2,6-bis(4-anilinophenyl)benzamide (CID 174976653) is 2,6-bis(4-anilinophenyl)benzamide.
What is the SMILES notation for 2,6-bis(4-anilinophenyl)benzamide?
The canonical SMILES for 2,6-bis(4-anilinophenyl)benzamide is NC(=O)c1c(-c2ccc(Nc3ccccc3)cc2)cccc1-c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2,6-bis(4-anilinophenyl)benzamide?
The InChIKey is YXIMTYDKIVSEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O/c32-31(35)30-28(22-14-18-26(19-15-22)33-24-8-3-1-4-9-24)12-7-13-29(30)23-16-20-27(21-17-23)34-25-10-5-2-6-11-25/h1-21,33-34H,(H2,32,35).
What are the key properties of 2,6-bis(4-anilinophenyl)benzamide?
2,6-bis(4-anilinophenyl)benzamide has a molecular weight of 455.56 g/mol, XLogP of 7.61, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-anilinophenyl)benzamide is sourced from PubChem (CID 174976653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).