2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine

C45H25NO3S3 — CID 156768342

IUPAC2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine
SMILESc1ccc(-c2c(-c3ccco3)c(-c3cc4ccccc4o3)c(-c3coc4ccccc34)c3c(-c4cccs4)c(-c4cc5ccccc5s4)sc23)nc1
InChIInChI=1S/C45H25NO3S3/c1-4-15-31-26(11-1)23-34(49-31)41-38(29-25-48-32-16-5-3-13-28(29)32)43-42(36-19-10-22-50-36)44(37-24-27-12-2-6-18-35(27)51-37)52-45(43)39(30-14-7-8-20-46-30)40(41)33-17-9-21-47-33/h1-25H
InChIKeyCMCZGHNFZRRYQV-UHFFFAOYSA-N
MW723.90 g/mol
LogP14.66
Rot. Bonds6

About 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine

2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine (PubChem CID 156768342) has the molecular formula C45H25NO3S3 and a molecular weight of 723.90 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine
PubChem CID156768342
Molecular FormulaC45H25NO3S3
Molecular Weight723.90 g/mol
Exact Mass723.10
IUPAC Name2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine
SMILESc1ccc(-c2c(-c3ccco3)c(-c3cc4ccccc4o3)c(-c3coc4ccccc34)c3c(-c4cccs4)c(-c4cc5ccccc5s4)sc23)nc1
InChIInChI=1S/C45H25NO3S3/c1-4-15-31-26(11-1)23-34(49-31)41-38(29-25-48-32-16-5-3-13-28(29)32)43-42(36-19-10-22-50-36)44(37-24-27-12-2-6-18-35(27)51-37)52-45(43)39(30-14-7-8-20-46-30)40(41)33-17-9-21-47-33/h1-25H
InChIKeyCMCZGHNFZRRYQV-UHFFFAOYSA-N
XLogP14.66
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.90
LogP ≤ 514.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine with MolForge

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Related Compounds

1-(1-Benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione
CID 144689454
2-[2-[2-(9-Naphthalen-2-ylanthracen-1-yl)furan-3-yl]thiophen-3-yl]-3-pyridin-3-ylpyridine
CID 53698269
4-Dibenzofuran-4-yl-2-dibenzothiophen-4-ylpyridine
CID 58050216
(Z)-3-[5-[11-[5-[(Z)-2-cyano-2-pyridin-2-ylethenyl]thiophen-2-yl]-4,12-dioxapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,7,9(18),10,13,15-octaen-3-yl]thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile
CID 117924265
2-[3-Methyl-2-(3-methyl-4-pyridin-2-yldibenzofuran-2-yl)oxydibenzothiophen-4-yl]pyridine
CID 118081920
3-[5-[11-[5-(2-Cyano-2-pyridin-2-ylethenyl)thiophen-2-yl]-4,12-dioxapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,7,9(18),10,13,15-octaen-3-yl]thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile
CID 123544719
1-Methyl-2-[3-methyl-2-[3-methyl-4-(1-methylpyridin-1-ium-2-yl)dibenzofuran-2-yl]oxydibenzothiophen-4-yl]pyridin-1-ium
CID 123932242
(2Z,3Z,5Z)-2-[[5-[11-[5-[(Z)-2-cyano-2-pyridin-2-ylethenyl]thiophen-2-yl]-4,12-dioxapentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1(17),2,5,7,9(18),10,13,15-octaen-3-yl]thiophen-2-yl]methylidene]-3-(methylideneamino)hepta-3,5-dienenitrile
CID 134331228
5-[10-(1,2-Dihydrodibenzothiophen-4-yl)anthracen-9-yl]-2-naphtho[2,3-b][1]benzofuran-2-ylpyridine
CID 134531109
2-[1-(1-benzofuran-2-yl)-3-(2H-chromen-2-yl)-5-pyridin-2-yl-6-thiophen-2-yl-2-benzofuran-4-yl]pyrazine
CID 140983280
2-[5-(1-Benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine
CID 141001622
2-[5-(furan-2-yl)-3-(oxan-2-yl)-4-(oxolan-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-yl-1-benzothiophen-6-yl]-1,3-benzoxazole
CID 141003569

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine (CID 156768342) is 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine is c1ccc(-c2c(-c3ccco3)c(-c3cc4ccccc4o3)c(-c3coc4ccccc34)c3c(-c4cccs4)c(-c4cc5ccccc5s4)sc23)nc1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine?
The InChIKey is CMCZGHNFZRRYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H25NO3S3/c1-4-15-31-26(11-1)23-34(49-31)41-38(29-25-48-32-16-5-3-13-28(29)32)43-42(36-19-10-22-50-36)44(37-24-27-12-2-6-18-35(27)51-37)52-45(43)39(30-14-7-8-20-46-30)40(41)33-17-9-21-47-33/h1-25H.
What are the key properties of 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine?
2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine has a molecular weight of 723.90 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-thiophen-2-yl-1-benzothiophen-7-yl]pyridine is sourced from PubChem (CID 156768342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).