3,7-dibromo-10-(4-bromophenyl)phenothiazine

C18H10Br3NS — CID 638546

IUPAC3,7-dibromo-10-(4-bromophenyl)phenothiazine
SMILESBrc1ccc(N2c3ccc(Br)cc3Sc3cc(Br)ccc32)cc1
InChIInChI=1S/C18H10Br3NS/c19-11-1-5-14(6-2-11)22-15-7-3-12(20)9-17(15)23-18-10-13(21)4-8-16(18)22/h1-10H
InChIKeyQONGQZAXOINVFG-UHFFFAOYSA-N
MW512.06 g/mol
LogP7.91
Rot. Bonds1

About 3,7-dibromo-10-(4-bromophenyl)phenothiazine

3,7-dibromo-10-(4-bromophenyl)phenothiazine (PubChem CID 638546) has the molecular formula C18H10Br3NS and a molecular weight of 512.06 g/mol. Its IUPAC name is 3,7-dibromo-10-(4-bromophenyl)phenothiazine.

Molecular Properties

Compound Name3,7-dibromo-10-(4-bromophenyl)phenothiazine
PubChem CID638546
Molecular FormulaC18H10Br3NS
Molecular Weight512.06 g/mol
Exact Mass508.81
IUPAC Name3,7-dibromo-10-(4-bromophenyl)phenothiazine
SMILESBrc1ccc(N2c3ccc(Br)cc3Sc3cc(Br)ccc32)cc1
InChIInChI=1S/C18H10Br3NS/c19-11-1-5-14(6-2-11)22-15-7-3-12(20)9-17(15)23-18-10-13(21)4-8-16(18)22/h1-10H
InChIKeyQONGQZAXOINVFG-UHFFFAOYSA-N
XLogP7.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.06
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,7-dibromo-10-(4-bromophenyl)phenothiazine?
The IUPAC name of 3,7-dibromo-10-(4-bromophenyl)phenothiazine (CID 638546) is 3,7-dibromo-10-(4-bromophenyl)phenothiazine.
What is the SMILES notation for 3,7-dibromo-10-(4-bromophenyl)phenothiazine?
The canonical SMILES for 3,7-dibromo-10-(4-bromophenyl)phenothiazine is Brc1ccc(N2c3ccc(Br)cc3Sc3cc(Br)ccc32)cc1.
What is the InChIKey of 3,7-dibromo-10-(4-bromophenyl)phenothiazine?
The InChIKey is QONGQZAXOINVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br3NS/c19-11-1-5-14(6-2-11)22-15-7-3-12(20)9-17(15)23-18-10-13(21)4-8-16(18)22/h1-10H.
What are the key properties of 3,7-dibromo-10-(4-bromophenyl)phenothiazine?
3,7-dibromo-10-(4-bromophenyl)phenothiazine has a molecular weight of 512.06 g/mol, XLogP of 7.91, 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-(4-bromophenyl)phenothiazine is sourced from PubChem (CID 638546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).