1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine

C28H18N4S — CID 164764844

IUPAC1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine
SMILESc1ccc(-c2nc(-c3cccc4c3-n3c(nc5ccccc53)SC4)nc3ccccc23)cc1
InChIInChI=1S/C28H18N4S/c1-2-9-18(10-3-1)25-20-12-4-5-14-22(20)29-27(31-25)21-13-8-11-19-17-33-28-30-23-15-6-7-16-24(23)32(28)26(19)21/h1-16H,17H2
InChIKeyLYOSYAHFXRUPBF-UHFFFAOYSA-N
MW442.55 g/mol
LogP6.91
Rot. Bonds2

About 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine

1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine (PubChem CID 164764844) has the molecular formula C28H18N4S and a molecular weight of 442.55 g/mol. Its IUPAC name is 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine.

Molecular Properties

Compound Name1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine
PubChem CID164764844
Molecular FormulaC28H18N4S
Molecular Weight442.55 g/mol
Exact Mass442.13
IUPAC Name1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine
SMILESc1ccc(-c2nc(-c3cccc4c3-n3c(nc5ccccc53)SC4)nc3ccccc23)cc1
InChIInChI=1S/C28H18N4S/c1-2-9-18(10-3-1)25-20-12-4-5-14-22(20)29-27(31-25)21-13-8-11-19-17-33-28-30-23-15-6-7-16-24(23)32(28)26(19)21/h1-16H,17H2
InChIKeyLYOSYAHFXRUPBF-UHFFFAOYSA-N
XLogP6.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-diphenyl-8-(4-phenylquinazolin-2-yl)-5H-imidazo[1,2-a][3,1]benzothiazine
CID 164764904
4-phenyl-2-[3-[2-[2-[3-(4-phenylquinazolin-2-yl)phenyl]phenyl]phenyl]phenyl]quinazoline
CID 167202663
2-phenyl-4-[4-(4-phenylquinazolin-2-yl)phenyl]-5H-indeno[1,2-d]pyrimidine
CID 122487429
4'-(4-phenylbenzo[h]quinazolin-2-yl)spiro[fluorene-9,11'-indolo[1,2-a]benzimidazole]
CID 162484190
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
9-phenyl-3-[10-(4-phenylquinazolin-2-yl)-6H-benzo[c]chromen-2-yl]carbazole
CID 162723168
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
4-phenyl-2-[4-[8-(4-phenylphenyl)-9H-fluoren-1-yl]phenyl]quinazoline
CID 122487442
4-phenyl-2-(8-triphenylen-2-yl-9H-fluoren-1-yl)quinazoline
CID 122487401
4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline
CID 155328859
4-phenyl-2-(23-thiahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)quinazoline
CID 164840614
2-[3,5-bis(2,3-dimethylindol-1-yl)phenyl]-4-phenylquinazoline
CID 147735698

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine?
The IUPAC name of 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine (CID 164764844) is 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine.
What is the SMILES notation for 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine?
The canonical SMILES for 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine is c1ccc(-c2nc(-c3cccc4c3-n3c(nc5ccccc53)SC4)nc3ccccc23)cc1.
What is the InChIKey of 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine?
The InChIKey is LYOSYAHFXRUPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4S/c1-2-9-18(10-3-1)25-20-12-4-5-14-22(20)29-27(31-25)21-13-8-11-19-17-33-28-30-23-15-6-7-16-24(23)32(28)26(19)21/h1-16H,17H2.
What are the key properties of 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine?
1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine has a molecular weight of 442.55 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylquinazolin-2-yl)-5H-benzimidazolo[1,2-a][3,1]benzothiazine is sourced from PubChem (CID 164764844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).