10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine

C32H21N3S — CID 130396249

IUPAC10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C32H21N3S/c1-2-10-22(11-3-1)31-25-12-4-5-13-26(25)33-32(34-31)23-18-20-24(21-19-23)35-27-14-6-8-16-29(27)36-30-17-9-7-15-28(30)35/h1-21H
InChIKeyNRRMHHAQKYMTCB-UHFFFAOYSA-N
MW479.61 g/mol
LogP8.90
Rot. Bonds3

About 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine

10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine (PubChem CID 130396249) has the molecular formula C32H21N3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
PubChem CID130396249
Molecular FormulaC32H21N3S
Molecular Weight479.61 g/mol
Exact Mass479.15
IUPAC Name10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc3ccccc23)cc1
InChIInChI=1S/C32H21N3S/c1-2-10-22(11-3-1)31-25-12-4-5-13-26(25)33-32(34-31)23-18-20-24(21-19-23)35-27-14-6-8-16-29(27)36-30-17-9-7-15-28(30)35/h1-21H
InChIKeyNRRMHHAQKYMTCB-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-(2,4-diphenylquinazolin-7-yl)phenothiazine
CID 130396277
10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine
CID 130396303
10-[3-[4-(4-spiro[fluorene-9,9'-thioxanthene]-1-ylphenyl)quinazolin-2-yl]phenyl]phenothiazine
CID 139307212
10-(4-quinazolin-2-ylphenyl)phenothiazine
CID 130396246
10-naphthalen-2-yl-3-(4-phenanthren-9-ylquinazolin-2-yl)phenothiazine
CID 159789134
14-phenyl-10-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216167
14-phenyl-11-(4-phenylquinazolin-2-yl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216067
8,14,22-triphenyl-5-[4-(4-phenylquinazolin-2-yl)phenyl]-8,14,22-triaza-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene
CID 153293400
14-phenyl-11-[4-(4-phenylphenyl)quinazolin-2-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 118216060
10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
CID 130396306
10-phenyl-3-[3-[9-(4-phenylquinazolin-2-yl)carbazol-2-yl]phenyl]phenothiazine
CID 134476220
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine?
The IUPAC name of 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine (CID 130396249) is 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine is c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc3ccccc23)cc1.
What is the InChIKey of 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine?
The InChIKey is NRRMHHAQKYMTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3S/c1-2-10-22(11-3-1)31-25-12-4-5-13-26(25)33-32(34-31)23-18-20-24(21-19-23)35-27-14-6-8-16-29(27)36-30-17-9-7-15-28(30)35/h1-21H.
What are the key properties of 10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine?
10-[4-(4-phenylquinazolin-2-yl)phenyl]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-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine is sourced from PubChem (CID 130396249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).