N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide

C38H26N2O3 — CID 148940294

IUPACN-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)c1ccc2oc3ccc(N(C(=O)c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C38H26N2O3/c41-37(27-13-5-1-6-14-27)39(29-17-9-3-10-18-29)31-21-23-35-33(25-31)34-26-32(22-24-36(34)43-35)40(30-19-11-4-12-20-30)38(42)28-15-7-2-8-16-28/h1-26H
InChIKeyPNTNCTKEFTTXOY-UHFFFAOYSA-N
MW558.64 g/mol
LogP9.54
Rot. Bonds6

About N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide

N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide (PubChem CID 148940294) has the molecular formula C38H26N2O3 and a molecular weight of 558.64 g/mol. Its IUPAC name is N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide
PubChem CID148940294
Molecular FormulaC38H26N2O3
Molecular Weight558.64 g/mol
Exact Mass558.19
IUPAC NameN-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide
SMILESO=C(c1ccccc1)N(c1ccccc1)c1ccc2oc3ccc(N(C(=O)c4ccccc4)c4ccccc4)cc3c2c1
InChIInChI=1S/C38H26N2O3/c41-37(27-13-5-1-6-14-27)39(29-17-9-3-10-18-29)31-21-23-35-33(25-31)34-26-32(22-24-36(34)43-35)40(30-19-11-4-12-20-30)38(42)28-15-7-2-8-16-28/h1-26H
InChIKeyPNTNCTKEFTTXOY-UHFFFAOYSA-N
XLogP9.54
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.64
LogP ≤ 59.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide?
The IUPAC name of N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide (CID 148940294) is N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide.
What is the SMILES notation for N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide?
The canonical SMILES for N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide is O=C(c1ccccc1)N(c1ccccc1)c1ccc2oc3ccc(N(C(=O)c4ccccc4)c4ccccc4)cc3c2c1.
What is the InChIKey of N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide?
The InChIKey is PNTNCTKEFTTXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2O3/c41-37(27-13-5-1-6-14-27)39(29-17-9-3-10-18-29)31-21-23-35-33(25-31)34-26-32(22-24-36(34)43-35)40(30-19-11-4-12-20-30)38(42)28-15-7-2-8-16-28/h1-26H.
What are the key properties of N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide?
N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide has a molecular weight of 558.64 g/mol, XLogP of 9.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(N-benzoylanilino)dibenzofuran-2-yl]-N-phenylbenzamide is sourced from PubChem (CID 148940294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).