10-(2,4-diphenylquinazolin-7-yl)phenothiazine

C32H21N3S — CID 130396277

IUPAC10-(2,4-diphenylquinazolin-7-yl)phenothiazine
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3n2)cc1
InChIInChI=1S/C32H21N3S/c1-3-11-22(12-4-1)31-25-20-19-24(21-26(25)33-32(34-31)23-13-5-2-6-14-23)35-27-15-7-9-17-29(27)36-30-18-10-8-16-28(30)35/h1-21H
InChIKeySGZUPVXCDVYLMG-UHFFFAOYSA-N
MW479.61 g/mol
LogP8.90
Rot. Bonds3

About 10-(2,4-diphenylquinazolin-7-yl)phenothiazine

10-(2,4-diphenylquinazolin-7-yl)phenothiazine (PubChem CID 130396277) has the molecular formula C32H21N3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 10-(2,4-diphenylquinazolin-7-yl)phenothiazine.

Molecular Properties

Compound Name10-(2,4-diphenylquinazolin-7-yl)phenothiazine
PubChem CID130396277
Molecular FormulaC32H21N3S
Molecular Weight479.61 g/mol
Exact Mass479.15
IUPAC Name10-(2,4-diphenylquinazolin-7-yl)phenothiazine
SMILESc1ccc(-c2nc(-c3ccccc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3n2)cc1
InChIInChI=1S/C32H21N3S/c1-3-11-22(12-4-1)31-25-20-19-24(21-26(25)33-32(34-31)23-13-5-2-6-14-23)35-27-15-7-9-17-29(27)36-30-18-10-8-16-28(30)35/h1-21H
InChIKeySGZUPVXCDVYLMG-UHFFFAOYSA-N
XLogP8.90
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 58.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine
CID 130396303
10-(2,4-diphenylquinazolin-7-yl)phenoxazine
CID 130396272
10-naphthalen-2-yl-3-(4-phenanthren-9-ylquinazolin-2-yl)phenothiazine
CID 159789134
10-[3-[4-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)quinazolin-2-yl]phenyl]phenothiazine
CID 139307212
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[3,7-bis(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylnaphthalen-1-yl]phenothiazine
CID 129290643
10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
CID 130396306
9,9-dimethyl-10-(4-naphthalen-1-yl-2-phenylquinazolin-7-yl)acridine
CID 130396291
10-[3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]phenothiazine
CID 156551092
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9,10,10-tetramethylanthracen-2-yl]phenothiazine
CID 134578997
10-(6-phenothiazin-10-ylnaphthalen-2-yl)phenothiazine
CID 141449755

Frequently Asked Questions

What is the IUPAC name of 10-(2,4-diphenylquinazolin-7-yl)phenothiazine?
The IUPAC name of 10-(2,4-diphenylquinazolin-7-yl)phenothiazine (CID 130396277) is 10-(2,4-diphenylquinazolin-7-yl)phenothiazine.
What is the SMILES notation for 10-(2,4-diphenylquinazolin-7-yl)phenothiazine?
The canonical SMILES for 10-(2,4-diphenylquinazolin-7-yl)phenothiazine is c1ccc(-c2nc(-c3ccccc3)c3ccc(N4c5ccccc5Sc5ccccc54)cc3n2)cc1.
What is the InChIKey of 10-(2,4-diphenylquinazolin-7-yl)phenothiazine?
The InChIKey is SGZUPVXCDVYLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3S/c1-3-11-22(12-4-1)31-25-20-19-24(21-26(25)33-32(34-31)23-13-5-2-6-14-23)35-27-15-7-9-17-29(27)36-30-18-10-8-16-28(30)35/h1-21H.
What are the key properties of 10-(2,4-diphenylquinazolin-7-yl)phenothiazine?
10-(2,4-diphenylquinazolin-7-yl)phenothiazine has a molecular weight of 479.61 g/mol, XLogP of 8.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-diphenylquinazolin-7-yl)phenothiazine is sourced from PubChem (CID 130396277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).