10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine

C26H18N2OS — CID 176816066

IUPAC10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine
SMILESC1=c2c(sc3ccccc23)=C(c2ccc3nc4n(c3c2)-c2ccccc2OC4)CC1
InChIInChI=1S/C26H18N2OS/c1-4-11-24-18(6-1)19-8-5-7-17(26(19)30-24)16-12-13-20-22(14-16)28-21-9-2-3-10-23(21)29-15-25(28)27-20/h1-4,6,8-14H,5,7,15H2
InChIKeyUTUMQAISUIYONP-UHFFFAOYSA-N
MW406.51 g/mol
LogP4.91
Rot. Bonds1

About 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine

10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine (PubChem CID 176816066) has the molecular formula C26H18N2OS and a molecular weight of 406.51 g/mol. Its IUPAC name is 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine.

Molecular Properties

Compound Name10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine
PubChem CID176816066
Molecular FormulaC26H18N2OS
Molecular Weight406.51 g/mol
Exact Mass406.11
IUPAC Name10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine
SMILESC1=c2c(sc3ccccc23)=C(c2ccc3nc4n(c3c2)-c2ccccc2OC4)CC1
InChIInChI=1S/C26H18N2OS/c1-4-11-24-18(6-1)19-8-5-7-17(26(19)30-24)16-12-13-20-22(14-16)28-21-9-2-3-10-23(21)29-15-25(28)27-20/h1-4,6,8-14H,5,7,15H2
InChIKeyUTUMQAISUIYONP-UHFFFAOYSA-N
XLogP4.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 164778402
9-[3-[(3-carbazol-9-ylphenyl)-diphenylmethyl]phenyl]-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 176816061
2-(3-tritylphenyl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 176816012
2,3-dihydrodibenzothiophen-4-amine
CID 145360943
[3-(6H-benzimidazolo[2,1-c][1,4]benzoxazin-9-yl)phenyl]-(3-dibenzofuran-4-ylphenyl)-diphenylsilane;[3-(6H-benzimidazolo[2,1-c][1,4]benzoxazin-9-yl)phenyl]-(3-dibenzothiophen-1-ylphenyl)-diphenylsilane;[3-(6H-benzimidazolo[2,1-c][1,4]benzoxazin-9-yl)phenyl]-(3-dibenzothiophen-2-ylphenyl)-diphenylsilane;[3-(6H-benzimidazolo[2,1-c][1,4]benzoxazin-9-yl)phenyl]-(3-dibenzothiophen-4-ylphenyl)-diphenylsilane;[3-(6H-benzimidazolo[2,1-c][1,4]benzoxazin-9-yl)phenyl]-[3-[3,6-di(carbazol-9-yl)carbazol-9-yl]phenyl]-diphenylsilane;methane;9-(1,2,3,4,5,6,7,8-octadeuteriocarbazol-9-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine;9-(1,2,3,4-tetradeuteriocarbazol-9-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine
CID 165069663
[3-(11H-indolo[1,2-a]benzimidazol-7-yl)phenyl]-methyl-diphenylsilane
CID 158000610
9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,8-dihydrodibenzofuran-4-yl]-3-phenylcarbazole
CID 144782095
1-[2-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 170236710
2-methyl-1-phenyl-6-[4-(10-phenyl-2,3-dihydroanthracen-9-yl)phenyl]benzimidazole
CID 134389370
[3-(5H-benzimidazolo[1,2-a][3,1]benzothiazin-10-yl)phenyl]-(3-dibenzothiophen-1-ylphenyl)-diphenylsilane
CID 164778065
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
2-[8-(3-chlorophenyl)dibenzothiophen-2-yl]-9-cyclohexa-1,5-dien-1-ylcarbazole
CID 145430412

Frequently Asked Questions

What is the IUPAC name of 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine?
The IUPAC name of 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine (CID 176816066) is 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine.
What is the SMILES notation for 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine?
The canonical SMILES for 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine is C1=c2c(sc3ccccc23)=C(c2ccc3nc4n(c3c2)-c2ccccc2OC4)CC1.
What is the InChIKey of 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine?
The InChIKey is UTUMQAISUIYONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2OS/c1-4-11-24-18(6-1)19-8-5-7-17(26(19)30-24)16-12-13-20-22(14-16)28-21-9-2-3-10-23(21)29-15-25(28)27-20/h1-4,6,8-14H,5,7,15H2.
What are the key properties of 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine?
10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine has a molecular weight of 406.51 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,3-dihydrodibenzothiophen-4-yl)-6H-benzimidazolo[2,1-c][1,4]benzoxazine is sourced from PubChem (CID 176816066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).