6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine

C34H20N2OS — CID 155101137

IUPAC6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cccc3c2oc2cccnc23)c(-c2ccccc2-c2nccc3c2sc2ccccc23)c1
InChIInChI=1S/C34H20N2OS/c1-2-11-23(26-14-7-15-28-31-29(37-33(26)28)16-8-19-35-31)21(9-1)22-10-3-4-13-25(22)32-34-27(18-20-36-32)24-12-5-6-17-30(24)38-34/h1-20H
InChIKeyGXNYINXTQPOHRV-UHFFFAOYSA-N
MW504.61 g/mol
LogP9.74
Rot. Bonds3

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

6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (PubChem CID 155101137) has the molecular formula C34H20N2OS and a molecular weight of 504.61 g/mol. Its IUPAC name is 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.

Molecular Properties

Compound Name6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
PubChem CID155101137
Molecular FormulaC34H20N2OS
Molecular Weight504.61 g/mol
Exact Mass504.13
IUPAC Name6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine
SMILESc1ccc(-c2cccc3c2oc2cccnc23)c(-c2ccccc2-c2nccc3c2sc2ccccc23)c1
InChIInChI=1S/C34H20N2OS/c1-2-11-23(26-14-7-15-28-31-29(37-33(26)28)16-8-19-35-31)21(9-1)22-10-3-4-13-25(22)32-34-27(18-20-36-32)24-12-5-6-17-30(24)38-34/h1-20H
InChIKeyGXNYINXTQPOHRV-UHFFFAOYSA-N
XLogP9.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.61
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine with MolForge

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Related Compounds

[8-([1]benzofuro[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-[8-([1]benzothiolo[2,3-c]pyridin-1-yl)-[1]benzofuro[2,3-c]pyridin-1-yl]-diphenylsilane
CID 140811724
1-[2-(2-phenylphenyl)phenyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101157
4-dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyrimidine
CID 155078239
(6-dibenzofuran-4-yldibenzofuran-4-yl)-(6-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
CID 140811666
4-[10-([1]benzofuro[3,2-b]pyridin-4-yl)-8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-4-yl]-[1]benzofuro[3,2-b]pyridine
CID 130191527
1-[2-(2-carbazol-9-ylphenyl)-3-pyridinyl]-[1]benzothiolo[2,3-c]pyridine
CID 155101082
17-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;18-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2,4,6,8,10,12,14(19),15,17,21,23,25,27-tetradecaene;26-dibenzofuran-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(28),2,4,6,8,10,12,14,16,18,20,22,24,26-tetradecaene;3-dibenzothiophen-4-yl-23-azahexacyclo[18.8.0.02,7.08,13.014,19.022,27]octacosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23,25,27-tetradecaene
CID 162225024
4-[3-(2-dibenzofuran-4-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171582779
4,7-bis(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-1,3-benzothiazole
CID 121425788
5-(3-dibenzofuran-4-ylphenyl)-[1]benzothiolo[3,2-c]isoquinoline
CID 129134265
3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
CID 162014946
10-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 88858379

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The IUPAC name of 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine (CID 155101137) is 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine.
What is the SMILES notation for 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The canonical SMILES for 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is c1ccc(-c2cccc3c2oc2cccnc23)c(-c2ccccc2-c2nccc3c2sc2ccccc23)c1.
What is the InChIKey of 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
The InChIKey is GXNYINXTQPOHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20N2OS/c1-2-11-23(26-14-7-15-28-31-29(37-33(26)28)16-8-19-35-31)21(9-1)22-10-3-4-13-25(22)32-34-27(18-20-36-32)24-12-5-6-17-30(24)38-34/h1-20H.
What are the key properties of 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine?
6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine has a molecular weight of 504.61 g/mol, XLogP of 9.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-([1]benzothiolo[2,3-c]pyridin-1-yl)phenyl]phenyl]-[1]benzofuro[3,2-b]pyridine is sourced from PubChem (CID 155101137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).