10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine

C32H21N3S — CID 130396306

IUPAC10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
SMILESc1ccc(-c2ncc3ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3n2)cc1
InChIInChI=1S/C32H21N3S/c1-2-8-23(9-3-1)32-33-21-25-15-14-24(20-27(25)34-32)22-16-18-26(19-17-22)35-28-10-4-6-12-30(28)36-31-13-7-5-11-29(31)35/h1-21H
InChIKeyOODUWZCDWBIYFG-UHFFFAOYSA-N
MW479.61 g/mol
LogP8.90
Rot. Bonds3

About 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine

10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine (PubChem CID 130396306) has the molecular formula C32H21N3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine.

Molecular Properties

Compound Name10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
PubChem CID130396306
Molecular FormulaC32H21N3S
Molecular Weight479.61 g/mol
Exact Mass479.15
IUPAC Name10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
SMILESc1ccc(-c2ncc3ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3n2)cc1
InChIInChI=1S/C32H21N3S/c1-2-8-23(9-3-1)32-33-21-25-15-14-24(20-27(25)34-32)22-16-18-26(19-17-22)35-28-10-4-6-12-30(28)36-31-13-7-5-11-29(31)35/h1-21H
InChIKeyOODUWZCDWBIYFG-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-quinazolin-2-ylphenyl)phenothiazine
CID 130396246
10-(4-benzo[h]quinazolin-2-ylphenyl)phenothiazine
CID 130396182
10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine
CID 130396303
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-(2,4-diphenylquinazolin-7-yl)phenothiazine
CID 130396277
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[4-[4-(4,6-diphenylpyrimidin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenothiazine;10-[4-[4-phenyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazin-2-yl]phenyl]phenothiazine
CID 158949538
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
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
10-[3-[3-[6-[4-[3-[2-[3-[3,5-di(phenothiazin-10-yl)phenyl]-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-2-phenylpyrimidin-4-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenothiazine
CID 129302267
12,18-bis(4-phenylphenyl)-15-quinazolin-2-yl-12,18-diaza-1-boraheptacyclo[15.11.1.02,11.04,9.013,29.019,28.021,26]nonacosa-2,4,6,8,10,13,15,17(29),19,21,23,25,27-tridecaene
CID 169072745

Frequently Asked Questions

What is the IUPAC name of 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine?
The IUPAC name of 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine (CID 130396306) is 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine.
What is the SMILES notation for 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine?
The canonical SMILES for 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine is c1ccc(-c2ncc3ccc(-c4ccc(N5c6ccccc6Sc6ccccc65)cc4)cc3n2)cc1.
What is the InChIKey of 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine?
The InChIKey is OODUWZCDWBIYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3S/c1-2-8-23(9-3-1)32-33-21-25-15-14-24(20-27(25)34-32)22-16-18-26(19-17-22)35-28-10-4-6-12-30(28)36-31-13-7-5-11-29(31)35/h1-21H.
What are the key properties of 10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine?
10-[4-(2-phenylquinazolin-7-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-(2-phenylquinazolin-7-yl)phenyl]phenothiazine is sourced from PubChem (CID 130396306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).