2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

C38H25N3OS — CID 163394880

IUPAC2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESO=c1c2cc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)ccc2nc2sc3ccccc3n12
InChIInChI=1S/C38H25N3OS/c42-37-33-25-32(21-22-34(33)39-38-41(37)35-19-7-8-20-36(35)43-38)40(30-17-9-15-28(23-30)26-11-3-1-4-12-26)31-18-10-16-29(24-31)27-13-5-2-6-14-27/h1-25H
InChIKeyIWCGVKQLZGVEHY-UHFFFAOYSA-N
MW571.71 g/mol
LogP9.87
Rot. Bonds5

About 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one

2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (PubChem CID 163394880) has the molecular formula C38H25N3OS and a molecular weight of 571.71 g/mol. Its IUPAC name is 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.

Molecular Properties

Compound Name2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
PubChem CID163394880
Molecular FormulaC38H25N3OS
Molecular Weight571.71 g/mol
Exact Mass571.17
IUPAC Name2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
SMILESO=c1c2cc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)ccc2nc2sc3ccccc3n12
InChIInChI=1S/C38H25N3OS/c42-37-33-25-32(21-22-34(33)39-38-41(37)35-19-7-8-20-36(35)43-38)40(30-17-9-15-28(23-30)26-11-3-1-4-12-26)31-18-10-16-29(24-31)27-13-5-2-6-14-27/h1-25H
InChIKeyIWCGVKQLZGVEHY-UHFFFAOYSA-N
XLogP9.87
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.71
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-phenyl-N-triphenylen-2-ylanilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163395008
2-chloro-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 15134484
2-(2-methylphenyl)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one
CID 163394893
2-hydroxy-3-phenylpyrimido[2,1-b][1,3]benzothiazol-4-one
CID 135418971
bis[3-(benzimidazolo[2,1-b][1,3]benzothiazol-9-yl)phenyl]-diphenylsilane
CID 153462934
N-(3-phenylphenyl)-N-triphenylen-2-yldibenzothiophen-2-amine
CID 118214718
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
9-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-[1,3]benzothiazolo[3,2-a]quinazolin-5-one
CID 171448254
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-[4-[3-(N-phenylanilino)phenyl]phenyl]dibenzothiophene-2,7-diamine
CID 131979873
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The IUPAC name of 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one (CID 163394880) is 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one.
What is the SMILES notation for 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The canonical SMILES for 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is O=c1c2cc(N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccccc4)c3)ccc2nc2sc3ccccc3n12.
What is the InChIKey of 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
The InChIKey is IWCGVKQLZGVEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N3OS/c42-37-33-25-32(21-22-34(33)39-38-41(37)35-19-7-8-20-36(35)43-38)40(30-17-9-15-28(23-30)26-11-3-1-4-12-26)31-18-10-16-29(24-31)27-13-5-2-6-14-27/h1-25H.
What are the key properties of 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one?
2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one has a molecular weight of 571.71 g/mol, XLogP of 9.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-N-(3-phenylphenyl)anilino)-[1,3]benzothiazolo[2,3-b]quinazolin-12-one is sourced from PubChem (CID 163394880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).