10-(2-bromophenyl)-5,5-diphenylphenothiazine

C30H22BrNS — CID 155353302

IUPAC10-(2-bromophenyl)-5,5-diphenylphenothiazine
SMILESBrc1ccccc1N1c2ccccc2S(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C30H22BrNS/c31-25-17-7-8-18-26(25)32-27-19-9-11-21-29(27)33(23-13-3-1-4-14-23,24-15-5-2-6-16-24)30-22-12-10-20-28(30)32/h1-22H
InChIKeyUOJQBNASZDKNRO-UHFFFAOYSA-N
MW508.48 g/mol
LogP9.57
Rot. Bonds3

About 10-(2-bromophenyl)-5,5-diphenylphenothiazine

10-(2-bromophenyl)-5,5-diphenylphenothiazine (PubChem CID 155353302) has the molecular formula C30H22BrNS and a molecular weight of 508.48 g/mol. Its IUPAC name is 10-(2-bromophenyl)-5,5-diphenylphenothiazine.

Molecular Properties

Compound Name10-(2-bromophenyl)-5,5-diphenylphenothiazine
PubChem CID155353302
Molecular FormulaC30H22BrNS
Molecular Weight508.48 g/mol
Exact Mass507.07
IUPAC Name10-(2-bromophenyl)-5,5-diphenylphenothiazine
SMILESBrc1ccccc1N1c2ccccc2S(c2ccccc2)(c2ccccc2)c2ccccc21
InChIInChI=1S/C30H22BrNS/c31-25-17-7-8-18-26(25)32-27-19-9-11-21-29(27)33(23-13-3-1-4-14-23,24-15-5-2-6-16-24)30-22-12-10-20-28(30)32/h1-22H
InChIKeyUOJQBNASZDKNRO-UHFFFAOYSA-N
XLogP9.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.48
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-(2-bromophenyl)-5,5-diphenylphenothiazine?
The IUPAC name of 10-(2-bromophenyl)-5,5-diphenylphenothiazine (CID 155353302) is 10-(2-bromophenyl)-5,5-diphenylphenothiazine.
What is the SMILES notation for 10-(2-bromophenyl)-5,5-diphenylphenothiazine?
The canonical SMILES for 10-(2-bromophenyl)-5,5-diphenylphenothiazine is Brc1ccccc1N1c2ccccc2S(c2ccccc2)(c2ccccc2)c2ccccc21.
What is the InChIKey of 10-(2-bromophenyl)-5,5-diphenylphenothiazine?
The InChIKey is UOJQBNASZDKNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BrNS/c31-25-17-7-8-18-26(25)32-27-19-9-11-21-29(27)33(23-13-3-1-4-14-23,24-15-5-2-6-16-24)30-22-12-10-20-28(30)32/h1-22H.
What are the key properties of 10-(2-bromophenyl)-5,5-diphenylphenothiazine?
10-(2-bromophenyl)-5,5-diphenylphenothiazine has a molecular weight of 508.48 g/mol, XLogP of 9.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-bromophenyl)-5,5-diphenylphenothiazine is sourced from PubChem (CID 155353302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).