[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'}

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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).