[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone

C32H20ClN3OS — CID 25146454

IUPAC[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C32H20ClN3OS/c33-25-18-16-21(17-19-25)20-34-29-27-26(22-10-4-1-5-11-22)28(23-12-6-2-7-13-23)35-36-32(27)38-31(29)30(37)24-14-8-3-9-15-24/h1-20H/b34-20+
InChIKeyIZVVZXCJZXFNHR-QXUDOOCXSA-N
MW530.05 g/mol
LogP8.66
Rot. Bonds6

About [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone

[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone (PubChem CID 25146454) has the molecular formula C32H20ClN3OS and a molecular weight of 530.05 g/mol. Its IUPAC name is [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone
PubChem CID25146454
Molecular FormulaC32H20ClN3OS
Molecular Weight530.05 g/mol
Exact Mass529.10
IUPAC Name[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C32H20ClN3OS/c33-25-18-16-21(17-19-25)20-34-29-27-26(22-10-4-1-5-11-22)28(23-12-6-2-7-13-23)35-36-32(27)38-31(29)30(37)24-14-8-3-9-15-24/h1-20H/b34-20+
InChIKeyIZVVZXCJZXFNHR-QXUDOOCXSA-N
XLogP8.66
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.05
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-1-(4-chlorophenyl)thiourea
CID 22302179
N-(5-benzoyl-4-phenyl-1,3-thiazol-2-yl)-4-chlorobenzamide
CID 4274612
(3-chloro-5,6-diphenylpyridazin-4-yl)-phenylmethanone
CID 10571236
1-[(5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carbonyl)amino]-1-(2,4-dichlorophenyl)thiourea
CID 22302180
(5E)-3-(6-benzoyl-3,4-diphenylthieno[2,3-c]pyridazin-5-yl)-2-imino-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 25146647
5-benzoyl-1-[(E)-(4-chlorophenyl)methylideneamino]-4-phenylpyrimidin-2-one
CID 177437861
ethyl 5-amino-3,4-diphenylthieno[2,3-c]pyridazine-6-carboxylate
CID 1241263
[4-[(3,4-dichlorophenyl)methylideneamino]phenyl]-phenylmethanone
CID 10784299
[3-amino-4-(4-chlorophenyl)-6-[(E)-2-(4-chlorophenyl)ethenyl]thieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 10864030
(4-chlorophenyl)-(6-phenylthieno[3,2-d][1,3]thiazol-5-yl)methanone
CID 102161166
[4-amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-phenylmethanone
CID 1484799
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone?
The IUPAC name of [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone (CID 25146454) is [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone.
What is the SMILES notation for [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone?
The canonical SMILES for [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone is O=C(c1ccccc1)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1/N=C/c1ccc(Cl)cc1.
What is the InChIKey of [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone?
The InChIKey is IZVVZXCJZXFNHR-QXUDOOCXSA-N. The full InChI is InChI=1S/C32H20ClN3OS/c33-25-18-16-21(17-19-25)20-34-29-27-26(22-10-4-1-5-11-22)28(23-12-6-2-7-13-23)35-36-32(27)38-31(29)30(37)24-14-8-3-9-15-24/h1-20H/b34-20+.
What are the key properties of [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone?
[5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone has a molecular weight of 530.05 g/mol, XLogP of 8.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chlorophenyl)methylideneamino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]-phenylmethanone is sourced from PubChem (CID 25146454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).