2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline

C30H18N2S — CID 171419628

IUPAC2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline
SMILESc1ccc2cc(-c3cccc4c3sc3c(-c5ccc6ccccc6n5)cccc34)ncc2c1
InChIInChI=1S/C30H18N2S/c1-2-9-21-18-31-28(17-20(21)8-1)25-13-6-11-23-22-10-5-12-24(29(22)33-30(23)25)27-16-15-19-7-3-4-14-26(19)32-27/h1-18H
InChIKeyZDJXHGHAYVIEQU-UHFFFAOYSA-N
MW438.56 g/mol
LogP8.48
Rot. Bonds2

About 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline

2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline (PubChem CID 171419628) has the molecular formula C30H18N2S and a molecular weight of 438.56 g/mol. Its IUPAC name is 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline.

Molecular Properties

Compound Name2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline
PubChem CID171419628
Molecular FormulaC30H18N2S
Molecular Weight438.56 g/mol
Exact Mass438.12
IUPAC Name2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline
SMILESc1ccc2cc(-c3cccc4c3sc3c(-c5ccc6ccccc6n5)cccc34)ncc2c1
InChIInChI=1S/C30H18N2S/c1-2-9-21-18-31-28(17-20(21)8-1)25-13-6-11-23-22-10-5-12-24(29(22)33-30(23)25)27-16-15-19-7-3-4-14-26(19)32-27/h1-18H
InChIKeyZDJXHGHAYVIEQU-UHFFFAOYSA-N
XLogP8.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.56
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-3-[6-(6-fluoroisoquinolin-3-yl)dibenzothiophen-4-yl]isoquinoline
CID 171419675
7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline
CID 118059227
3-[7-(3-phenylphenyl)dibenzothiophen-4-yl]isoquinoline
CID 166577401
3-[6-(6,8-dimethylisoquinolin-3-yl)dibenzothiophen-4-yl]-6,8-dimethylisoquinoline
CID 171419630
3-[6-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1-methyldibenzothiophen-4-yl]isoquinoline
CID 169039149
4-propan-2-yl-2-(6-propan-2-yldibenzothiophen-4-yl)quinoline
CID 176651591
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline
CID 118582341
1-isoquinolin-3-yl-8-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 140902398
3-(10-thiapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-5-yl)isoquinoline
CID 154600565
2-[4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797150
2-naphthalen-1-yl-4,7-di(quinolin-2-yl)-1,10-phenanthroline
CID 163663033
4-quinolin-2-yl-1,3-benzothiazole
CID 54266473

Frequently Asked Questions

What is the IUPAC name of 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline?
The IUPAC name of 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline (CID 171419628) is 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline.
What is the SMILES notation for 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline?
The canonical SMILES for 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline is c1ccc2cc(-c3cccc4c3sc3c(-c5ccc6ccccc6n5)cccc34)ncc2c1.
What is the InChIKey of 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline?
The InChIKey is ZDJXHGHAYVIEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18N2S/c1-2-9-21-18-31-28(17-20(21)8-1)25-13-6-11-23-22-10-5-12-24(29(22)33-30(23)25)27-16-15-19-7-3-4-14-26(19)32-27/h1-18H.
What are the key properties of 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline?
2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline has a molecular weight of 438.56 g/mol, XLogP of 8.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline is sourced from PubChem (CID 171419628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).