2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane

C20H16N2S — CID 144963869

IUPAC2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane
SMILESc1ccc(C2[N-]C(c3cccc4c3sc3ccccc34)[NH2+]2)cc1
InChIInChI=1S/C20H15N2S/c1-2-7-13(8-3-1)19-21-20(22-19)16-11-6-10-15-14-9-4-5-12-17(14)23-18(15)16/h1-12,19-21H/q-1/p+1
InChIKeyCJZIBVONOAKJMN-UHFFFAOYSA-O
MW316.43 g/mol
LogP4.70
Rot. Bonds2

About 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane

2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane (PubChem CID 144963869) has the molecular formula C20H16N2S and a molecular weight of 316.43 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane
PubChem CID144963869
Molecular FormulaC20H16N2S
Molecular Weight316.43 g/mol
Exact Mass316.10
IUPAC Name2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane
SMILESc1ccc(C2[N-]C(c3cccc4c3sc3ccccc34)[NH2+]2)cc1
InChIInChI=1S/C20H15N2S/c1-2-7-13(8-3-1)19-21-20(22-19)16-11-6-10-15-14-9-4-5-12-17(14)23-18(15)16/h1-12,19-21H/q-1/p+1
InChIKeyCJZIBVONOAKJMN-UHFFFAOYSA-O
XLogP4.70
TPSA30.71 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-cyclopropyldibenzothiophene
CID 54752889
3,26-dithiaheptacyclo[13.11.1.12,10.04,9.019,27.020,25.014,28]octacosa-1,4,6,8,10(28),11,13,15,17,19(27),20,22,24-tridecaene
CID 149009096
2-(6-dibenzofuran-3-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146542356
2-dibenzofuran-1-yl-4-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazinane
CID 146541780
tetra(dibenzothiophen-4-yl)-λ4-sulfane
CID 134590724
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
dibenzothiophen-4-yl-[dibenzothiophen-4-yl(diphenyl)silyl]-diphenylsilane
CID 140776683
2-dibenzothiophen-4-ylaniline
CID 58050240
2-dibenzofuran-4-yl-4-(6-dibenzothiophen-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazinane
CID 146542425
2-(8-dibenzofuran-4-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazinane
CID 146541811
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
2-dibenzothiophen-4-yl-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
CID 53270113

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane?
The IUPAC name of 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane (CID 144963869) is 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane is c1ccc(C2[N-]C(c3cccc4c3sc3ccccc34)[NH2+]2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane?
The InChIKey is CJZIBVONOAKJMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H15N2S/c1-2-7-13(8-3-1)19-21-20(22-19)16-11-6-10-15-14-9-4-5-12-17(14)23-18(15)16/h1-12,19-21H/q-1/p+1.
What are the key properties of 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane?
2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane has a molecular weight of 316.43 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-phenyl-1-azonia-3-azanidacyclobutane is sourced from PubChem (CID 144963869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).