3,7-dibromo-10-phenylphenothiazine

C18H11Br2NS — CID 638543

IUPAC3,7-dibromo-10-phenylphenothiazine
SMILESBrc1ccc2c(c1)Sc1cc(Br)ccc1N2c1ccccc1
InChIInChI=1S/C18H11Br2NS/c19-12-6-8-15-17(10-12)22-18-11-13(20)7-9-16(18)21(15)14-4-2-1-3-5-14/h1-11H
InChIKeyVUDKYFZVHHDUDR-UHFFFAOYSA-N
MW433.17 g/mol
LogP7.15
Rot. Bonds1

About 3,7-dibromo-10-phenylphenothiazine

3,7-dibromo-10-phenylphenothiazine (PubChem CID 638543) has the molecular formula C18H11Br2NS and a molecular weight of 433.17 g/mol. Its IUPAC name is 3,7-dibromo-10-phenylphenothiazine.

Molecular Properties

Compound Name3,7-dibromo-10-phenylphenothiazine
PubChem CID638543
Molecular FormulaC18H11Br2NS
Molecular Weight433.17 g/mol
Exact Mass430.90
IUPAC Name3,7-dibromo-10-phenylphenothiazine
SMILESBrc1ccc2c(c1)Sc1cc(Br)ccc1N2c1ccccc1
InChIInChI=1S/C18H11Br2NS/c19-12-6-8-15-17(10-12)22-18-11-13(20)7-9-16(18)21(15)14-4-2-1-3-5-14/h1-11H
InChIKeyVUDKYFZVHHDUDR-UHFFFAOYSA-N
XLogP7.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.17
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,7-dibromo-10-phenylphenothiazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-10-phenylphenothiazine?
The IUPAC name of 3,7-dibromo-10-phenylphenothiazine (CID 638543) is 3,7-dibromo-10-phenylphenothiazine.
What is the SMILES notation for 3,7-dibromo-10-phenylphenothiazine?
The canonical SMILES for 3,7-dibromo-10-phenylphenothiazine is Brc1ccc2c(c1)Sc1cc(Br)ccc1N2c1ccccc1.
What is the InChIKey of 3,7-dibromo-10-phenylphenothiazine?
The InChIKey is VUDKYFZVHHDUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br2NS/c19-12-6-8-15-17(10-12)22-18-11-13(20)7-9-16(18)21(15)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 3,7-dibromo-10-phenylphenothiazine?
3,7-dibromo-10-phenylphenothiazine has a molecular weight of 433.17 g/mol, XLogP of 7.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dibromo-10-phenylphenothiazine is sourced from PubChem (CID 638543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).