5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine

C26H15N3S — CID 71108880

IUPAC5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine
SMILESc1ccc2c(c1)nc1c3cnccc3c(-c3ccc4sc5ccccc5c4c3)cn21
InChIInChI=1S/C26H15N3S/c1-4-8-24-18(5-1)19-13-16(9-10-25(19)30-24)21-15-29-23-7-3-2-6-22(23)28-26(29)20-14-27-12-11-17(20)21/h1-15H
InChIKeyCMXCAHRGTBACNW-UHFFFAOYSA-N
MW401.49 g/mol
LogP7.07
Rot. Bonds1

About 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine

5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine (PubChem CID 71108880) has the molecular formula C26H15N3S and a molecular weight of 401.49 g/mol. Its IUPAC name is 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine.

Molecular Properties

Compound Name5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine
PubChem CID71108880
Molecular FormulaC26H15N3S
Molecular Weight401.49 g/mol
Exact Mass401.10
IUPAC Name5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine
SMILESc1ccc2c(c1)nc1c3cnccc3c(-c3ccc4sc5ccccc5c4c3)cn21
InChIInChI=1S/C26H15N3S/c1-4-8-24-18(5-1)19-13-16(9-10-25(19)30-24)21-15-29-23-7-3-2-6-22(23)28-26(29)20-14-27-12-11-17(20)21/h1-15H
InChIKeyCMXCAHRGTBACNW-UHFFFAOYSA-N
XLogP7.07
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

26-thia-2,9,14-triazaheptacyclo[15.11.0.02,10.03,8.011,16.019,27.020,25]octacosa-1(17),3,5,7,9,11(16),12,14,18,20,22,24,27-tridecaene
CID 163503873
5-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzimidazolo[2,1-a]isoquinoline;5-[3-(benzimidazolo[2,1-a]isoquinolin-5-yl)phenyl]benzimidazolo[2,1-a]isoquinoline;5-[5-(benzimidazolo[2,1-a]isoquinolin-5-yl)thiophen-2-yl]benzimidazolo[2,1-a]isoquinoline;17-carbazol-9-yl-4,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 158218688
4-(benzimidazolo[2,1-a]isoquinolin-5-yl)benzonitrile;5-[3,5-bis(2-methylphenyl)phenyl]benzimidazolo[2,1-a]isoquinoline;8-dibenzothiophen-2-yl-3,10,12,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;8-dibenzothiophen-2-yl-3,10,14,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11(16),12,14-octaene;5-(2,3,4,5,6-pentafluorophenyl)benzimidazolo[2,1-a]isoquinoline
CID 157177372
9-(3-dibenzothiophen-2-ylphenyl)-6-phenylindolo[3,2-b]quinoxaline;9-(4-dibenzothiophen-2-ylphenyl)-6-phenylindolo[3,2-b]quinoxaline;6-phenyl-9-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-b]quinoxaline;6-phenyl-9-[3-(5-phenylpyrido[4,3-b]indol-8-yl)phenyl]indolo[3,2-b]quinoxaline
CID 157223495
5-dibenzothiophen-4-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 163561204
6-tetraphenylen-2-yl-[1]benzothiolo[2,3-c]pyridine
CID 137067026
7-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]phenanthro[9,10-c]pyridine
CID 177115829
1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236799
30-thia-2,9-diazaoctacyclo[19.11.0.02,10.03,8.011,20.013,18.023,31.024,29]dotriaconta-1(21),3,5,7,9,11,13,15,17,19,22,24,26,28,31-pentadecaene
CID 139436351
5,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 142519126
10-dibenzothiophen-2-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 135298403
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776

Frequently Asked Questions

What is the IUPAC name of 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine?
The IUPAC name of 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine (CID 71108880) is 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine.
What is the SMILES notation for 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine?
The canonical SMILES for 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine is c1ccc2c(c1)nc1c3cnccc3c(-c3ccc4sc5ccccc5c4c3)cn21.
What is the InChIKey of 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine?
The InChIKey is CMXCAHRGTBACNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15N3S/c1-4-8-24-18(5-1)19-13-16(9-10-25(19)30-24)21-15-29-23-7-3-2-6-22(23)28-26(29)20-14-27-12-11-17(20)21/h1-15H.
What are the key properties of 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine?
5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine has a molecular weight of 401.49 g/mol, XLogP of 7.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dibenzothiophen-2-ylbenzimidazolo[2,1-a][2,7]naphthyridine is sourced from PubChem (CID 71108880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).