(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone

C23H15ClN2O — CID 10571236

IUPAC(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(Cl)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H15ClN2O/c24-23-20(22(27)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)21(25-26-23)17-12-6-2-7-13-17/h1-15H
InChIKeyKRQPVJGWFGIWKR-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.70
Rot. Bonds4

About (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone

(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone (PubChem CID 10571236) has the molecular formula C23H15ClN2O and a molecular weight of 370.84 g/mol. Its IUPAC name is (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone
PubChem CID10571236
Molecular FormulaC23H15ClN2O
Molecular Weight370.84 g/mol
Exact Mass370.09
IUPAC Name(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(Cl)nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H15ClN2O/c24-23-20(22(27)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)21(25-26-23)17-12-6-2-7-13-17/h1-15H
InChIKeyKRQPVJGWFGIWKR-UHFFFAOYSA-N
XLogP5.70
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
phenyl-(2,4,6-triphenylpyrimidin-5-yl)methanone
CID 12782476
phenyl-(2,3,4-trihydroxy-5,6-diphenylphenyl)methanone
CID 172846091
(4-bromo-2-chloro-3-pyridinyl)-phenylmethanone
CID 102368897
(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 171985656
[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone
CID 25146454
[3-(4-bromophenyl)-4-phenyl-1H-pyrazol-5-yl]-phenylmethanone
CID 72944927
diphenylmethanone
CID 3102
benzamide;5,6-diphenyltetrazine
CID 174808864
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640
4-chloro-1-phenyl-6,7-dihydro-5H-cyclopenta[d]pyridazine
CID 86614164
phenyl-(4-phenylphenyl)methanone
CID 155775877

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone?
The IUPAC name of (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone (CID 10571236) is (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone.
What is the SMILES notation for (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone?
The canonical SMILES for (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone is O=C(c1ccccc1)c1c(Cl)nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone?
The InChIKey is KRQPVJGWFGIWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClN2O/c24-23-20(22(27)18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)21(25-26-23)17-12-6-2-7-13-17/h1-15H.
What are the key properties of (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone?
(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone has a molecular weight of 370.84 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone is sourced from PubChem (CID 10571236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).