10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine

C50H32N4OS — CID 130396303

IUPAC10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3n2)cc1
InChIInChI=1S/C50H32N4OS/c1-2-12-35(13-3-1)50-51-40-32-36(33-22-27-37(28-23-33)53-41-14-4-8-18-45(41)55-46-19-9-5-15-42(46)53)26-31-39(40)49(52-50)34-24-29-38(30-25-34)54-43-16-6-10-20-47(43)56-48-21-11-7-17-44(48)54/h1-32H
InChIKeyPUMWLBCPVHCXBE-UHFFFAOYSA-N
MW736.90 g/mol
LogP14.14
Rot. Bonds5

About 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine

10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine (PubChem CID 130396303) has the molecular formula C50H32N4OS and a molecular weight of 736.90 g/mol. Its IUPAC name is 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine
PubChem CID130396303
Molecular FormulaC50H32N4OS
Molecular Weight736.90 g/mol
Exact Mass736.23
IUPAC Name10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine
SMILESc1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3n2)cc1
InChIInChI=1S/C50H32N4OS/c1-2-12-35(13-3-1)50-51-40-32-36(33-22-27-37(28-23-33)53-41-14-4-8-18-45(41)55-46-19-9-5-15-42(46)53)26-31-39(40)49(52-50)34-24-29-38(30-25-34)54-43-16-6-10-20-47(43)56-48-21-11-7-17-44(48)54/h1-32H
InChIKeyPUMWLBCPVHCXBE-UHFFFAOYSA-N
XLogP14.14
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.90
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

10-(2,4-diphenylquinazolin-7-yl)phenoxazine
CID 130396272
10-(2,4-diphenylquinazolin-7-yl)phenothiazine
CID 130396277
10-[4-(4-phenylquinazolin-2-yl)phenyl]phenothiazine
CID 130396249
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-phenothiazin-10-ylphenoxazine
CID 118528373
10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(10-phenylphenothiazin-3-yl)phenoxazine
CID 118528360
10-[3-phenothiazin-10-yl-5-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenoxazine
CID 118528548
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129291660
10-[4-(2-phenylquinazolin-7-yl)phenyl]phenothiazine
CID 130396306
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[4-[4-(4-isocyanophenyl)-6-(4-phenothiazin-10-ylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 140731455

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine (CID 130396303) is 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine is c1ccc(-c2nc(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3n2)cc1.
What is the InChIKey of 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine?
The InChIKey is PUMWLBCPVHCXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N4OS/c1-2-12-35(13-3-1)50-51-40-32-36(33-22-27-37(28-23-33)53-41-14-4-8-18-45(41)55-46-19-9-5-15-42(46)53)26-31-39(40)49(52-50)34-24-29-38(30-25-34)54-43-16-6-10-20-47(43)56-48-21-11-7-17-44(48)54/h1-32H.
What are the key properties of 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine?
10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine has a molecular weight of 736.90 g/mol, XLogP of 14.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[4-(4-phenothiazin-10-ylphenyl)-2-phenylquinazolin-7-yl]phenyl]phenoxazine is sourced from PubChem (CID 130396303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).