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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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).