3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole

C27H16N2OS — CID 137433721

IUPAC3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole
SMILESc1ccc(-c2ccc3oc4c(-c5ccc6c(c5)sc5ccccc56)n[nH]c4c3c2)cc1
InChIInChI=1S/C27H16N2OS/c1-2-6-16(7-3-1)17-11-13-22-21(14-17)26-27(30-22)25(28-29-26)18-10-12-20-19-8-4-5-9-23(19)31-24(20)15-18/h1-15H,(H,28,29)
InChIKeyRSCJBVVSDVRJCJ-UHFFFAOYSA-N
MW416.51 g/mol
LogP8.01
Rot. Bonds2

About 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole

3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole (PubChem CID 137433721) has the molecular formula C27H16N2OS and a molecular weight of 416.51 g/mol. Its IUPAC name is 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole.

Molecular Properties

Compound Name3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole
PubChem CID137433721
Molecular FormulaC27H16N2OS
Molecular Weight416.51 g/mol
Exact Mass416.10
IUPAC Name3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole
SMILESc1ccc(-c2ccc3oc4c(-c5ccc6c(c5)sc5ccccc56)n[nH]c4c3c2)cc1
InChIInChI=1S/C27H16N2OS/c1-2-6-16(7-3-1)17-11-13-22-21(14-17)26-27(30-22)25(28-29-26)18-10-12-20-19-8-4-5-9-23(19)31-24(20)15-18/h1-15H,(H,28,29)
InChIKeyRSCJBVVSDVRJCJ-UHFFFAOYSA-N
XLogP8.01
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 58.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496603
4-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 156578604
6-dibenzothiophen-2-yl-2-[3-(4-phenylphenyl)phenyl]dibenzofuran
CID 118349956
2-[8-[4-(3-dibenzothiophen-3-ylphenyl)phenyl]dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 171597450
2-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine
CID 155078013
10-phenyl-8-[4-(7-phenyldibenzothiophen-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828239
2-(8-dibenzofuran-2-yldibenzothiophen-3-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139549099
8-(3-dibenzothiophen-3-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828465
2-(2-dibenzofuran-2-yl-4-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402609
2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine
CID 158713943
2-dibenzothiophen-3-yl-4-(7-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155380197

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole?
The IUPAC name of 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole (CID 137433721) is 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole.
What is the SMILES notation for 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole?
The canonical SMILES for 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole is c1ccc(-c2ccc3oc4c(-c5ccc6c(c5)sc5ccccc56)n[nH]c4c3c2)cc1.
What is the InChIKey of 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole?
The InChIKey is RSCJBVVSDVRJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H16N2OS/c1-2-6-16(7-3-1)17-11-13-22-21(14-17)26-27(30-22)25(28-29-26)18-10-12-20-19-8-4-5-9-23(19)31-24(20)15-18/h1-15H,(H,28,29).
What are the key properties of 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole?
3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole has a molecular weight of 416.51 g/mol, XLogP of 8.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-3-yl-7-phenyl-1H-[1]benzofuro[3,2-c]pyrazole is sourced from PubChem (CID 137433721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).