N-benzhydrylidene-4-benzoylbenzamide

C27H19NO2 — CID 4145646

IUPACN-benzhydrylidene-4-benzoylbenzamide
SMILESO=C(N=C(c1ccccc1)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H19NO2/c29-26(22-14-8-3-9-15-22)23-16-18-24(19-17-23)27(30)28-25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H
InChIKeyVZEHZVDNJGSGAG-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.60
Rot. Bonds5

About N-benzhydrylidene-4-benzoylbenzamide

N-benzhydrylidene-4-benzoylbenzamide (PubChem CID 4145646) has the molecular formula C27H19NO2 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-benzhydrylidene-4-benzoylbenzamide.

Molecular Properties

Compound NameN-benzhydrylidene-4-benzoylbenzamide
PubChem CID4145646
Molecular FormulaC27H19NO2
Molecular Weight389.45 g/mol
Exact Mass389.14
IUPAC NameN-benzhydrylidene-4-benzoylbenzamide
SMILESO=C(N=C(c1ccccc1)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C27H19NO2/c29-26(22-14-8-3-9-15-22)23-16-18-24(19-17-23)27(30)28-25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H
InChIKeyVZEHZVDNJGSGAG-UHFFFAOYSA-N
XLogP5.60
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(benzhydrylideneamino)-phenylmethylidene]benzamide
CID 14949427
diphenylmethanone
CID 3102
diphenylmethanone;gold
CID 174931146
disodium;diphenylmethanone
CID 19380838
cobalt(2+);diphenylmethanone
CID 19033779
bis(diphenylmethanone);dihydrochloride
CID 69107757
diphenylmethanone;hydron;fluoride
CID 21465824
magnesium;diphenylmethanone;hydride
CID 175114327
diphenylmethanone;ethane
CID 158014879
(4-hydroxyphenyl)-phenylmethanone
CID 139062648
phenyl-(4-phenylphenyl)methanone
CID 155775877
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243

Frequently Asked Questions

What is the IUPAC name of N-benzhydrylidene-4-benzoylbenzamide?
The IUPAC name of N-benzhydrylidene-4-benzoylbenzamide (CID 4145646) is N-benzhydrylidene-4-benzoylbenzamide.
What is the SMILES notation for N-benzhydrylidene-4-benzoylbenzamide?
The canonical SMILES for N-benzhydrylidene-4-benzoylbenzamide is O=C(N=C(c1ccccc1)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of N-benzhydrylidene-4-benzoylbenzamide?
The InChIKey is VZEHZVDNJGSGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO2/c29-26(22-14-8-3-9-15-22)23-16-18-24(19-17-23)27(30)28-25(20-10-4-1-5-11-20)21-12-6-2-7-13-21/h1-19H.
What are the key properties of N-benzhydrylidene-4-benzoylbenzamide?
N-benzhydrylidene-4-benzoylbenzamide has a molecular weight of 389.45 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydrylidene-4-benzoylbenzamide is sourced from PubChem (CID 4145646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).