1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine

C34H18N2OS2 — CID 142336462

IUPAC1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)sc1c(-c3ccc4oc5c(-c6nccc7c6sc6ccccc67)cccc5c4c3)nccc12
InChIInChI=1S/C34H18N2OS2/c1-3-10-28-20(6-1)23-14-16-35-30(33(23)38-28)19-12-13-27-26(18-19)22-8-5-9-25(32(22)37-27)31-34-24(15-17-36-31)21-7-2-4-11-29(21)39-34/h1-18H
InChIKeyDGDDWOWSPFEKJR-UHFFFAOYSA-N
MW534.67 g/mol
LogP10.45
Rot. Bonds2

About 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine

1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine (PubChem CID 142336462) has the molecular formula C34H18N2OS2 and a molecular weight of 534.67 g/mol. Its IUPAC name is 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine
PubChem CID142336462
Molecular FormulaC34H18N2OS2
Molecular Weight534.67 g/mol
Exact Mass534.09
IUPAC Name1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine
SMILESc1ccc2c(c1)sc1c(-c3ccc4oc5c(-c6nccc7c6sc6ccccc67)cccc5c4c3)nccc12
InChIInChI=1S/C34H18N2OS2/c1-3-10-28-20(6-1)23-14-16-35-30(33(23)38-28)19-12-13-27-26(18-19)22-8-5-9-25(32(22)37-27)31-34-24(15-17-36-31)21-7-2-4-11-29(21)39-34/h1-18H
InChIKeyDGDDWOWSPFEKJR-UHFFFAOYSA-N
XLogP10.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.67
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Dibenzofuran-2-yl-1-(1-dibenzothiophen-2-ylethyl)triazole
CID 76320968
[6-Methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-[(2-pyridin-2-yl-4-pyridinyl)methoxy]phenyl]methanone
CID 177656970
1-N-dibenzothiophen-2-yl-7-N-(9-fluorodibenzothiophen-2-yl)-1-N-phenyl-7-N-pyridin-3-yldibenzofuran-1,7-diamine
CID 132180668
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
N-([1]benzothiolo[3,2-b][1]benzofuran-2-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617606
N-([1]benzothiolo[3,2-b][1]benzofuran-7-yl)-9-(4-fluorophenyl)-N-(1-phenylpyridin-1-ium-4-yl)carbazol-3-amine
CID 155617616
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341436
(Z)-3,7-diethyl-6-hydroxynon-5-en-4-one;iridium;1-(1-methyl-4H-dibenzofuran-4-id-3-yl)-8-(trifluoromethyl)-[1]benzothiolo[2,3-c]pyridine
CID 162500373
2-[6-[4-(2,3-Dihydro-1-benzothiophen-2-yl)phenyl]-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037604
2-[6-(5-Cyclohexylthiophen-2-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037966
2-[7-Fluoro-3-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051332
2-(6-Dibenzothiophen-3-yl-7-fluoro-3-methyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 167358048

Frequently Asked Questions

What is the IUPAC name of 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine?
The IUPAC name of 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine (CID 142336462) is 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine.
What is the SMILES notation for 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine?
The canonical SMILES for 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine is c1ccc2c(c1)sc1c(-c3ccc4oc5c(-c6nccc7c6sc6ccccc67)cccc5c4c3)nccc12.
What is the InChIKey of 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine?
The InChIKey is DGDDWOWSPFEKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H18N2OS2/c1-3-10-28-20(6-1)23-14-16-35-30(33(23)38-28)19-12-13-27-26(18-19)22-8-5-9-25(32(22)37-27)31-34-24(15-17-36-31)21-7-2-4-11-29(21)39-34/h1-18H.
What are the key properties of 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine?
1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine has a molecular weight of 534.67 g/mol, XLogP of 10.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-([1]benzothiolo[2,3-c]pyridin-1-yl)dibenzofuran-2-yl]-[1]benzothiolo[2,3-c]pyridine is sourced from PubChem (CID 142336462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).