2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine

C30H18FNOS — CID 171423680

IUPAC2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine
SMILESCc1c(-c2ccnc(-c3cc4ccccc4c4c3oc3cc(F)ccc34)c2)sc2ccccc12
InChIInChI=1S/C30H18FNOS/c1-17-21-7-4-5-9-27(21)34-30(17)19-12-13-32-25(15-19)24-14-18-6-2-3-8-22(18)28-23-11-10-20(31)16-26(23)33-29(24)28/h2-16H,1H3
InChIKeyFDSWXWAUQHGDOJ-UHFFFAOYSA-N
MW459.55 g/mol
LogP9.13
Rot. Bonds2

About 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine

2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine (PubChem CID 171423680) has the molecular formula C30H18FNOS and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine
PubChem CID171423680
Molecular FormulaC30H18FNOS
Molecular Weight459.55 g/mol
Exact Mass459.11
IUPAC Name2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine
SMILESCc1c(-c2ccnc(-c3cc4ccccc4c4c3oc3cc(F)ccc34)c2)sc2ccccc12
InChIInChI=1S/C30H18FNOS/c1-17-21-7-4-5-9-27(21)34-30(17)19-12-13-32-25(15-19)24-14-18-6-2-3-8-22(18)28-23-11-10-20(31)16-26(23)33-29(24)28/h2-16H,1H3
InChIKeyFDSWXWAUQHGDOJ-UHFFFAOYSA-N
XLogP9.13
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine with MolForge

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Related Compounds

(E)-3-[4-[[6-fluoro-2-(isoquinoline-7-carbonyl)-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
CID 172470410
2-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583652
4-[4-[2-(2-Ethyl-1-benzofuran-3-yl)-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]pyridine
CID 102583654
2-[3-(Trifluoromethylsulfanyl)dibenzofuran-4-yl]pyridine
CID 132608407
Ethyl 2-(2-[[3-(trifluoromethyl)phenoxy]methyl]-1-benzothiophen-7-yl)pyridine-4-carboxylate
CID 67187853
4-(4-Fluorophenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123192424
5-[4-Fluoro-3-(2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123195423
4-[4-Fluoro-3,5-di(propan-2-yl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123231826
4-(4-Fluoro-3-propan-2-ylphenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123267430
4-[4-Fluoro-3-(2-methylpropyl)phenyl]-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123658201
4-(4-Fluoro-3-prop-2-enylphenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123803089
5-(4-Fluoro-3-propan-2-ylphenyl)-1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 123894791

Frequently Asked Questions

What is the IUPAC name of 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine?
The IUPAC name of 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine (CID 171423680) is 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine.
What is the SMILES notation for 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine?
The canonical SMILES for 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine is Cc1c(-c2ccnc(-c3cc4ccccc4c4c3oc3cc(F)ccc34)c2)sc2ccccc12.
What is the InChIKey of 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine?
The InChIKey is FDSWXWAUQHGDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18FNOS/c1-17-21-7-4-5-9-27(21)34-30(17)19-12-13-32-25(15-19)24-14-18-6-2-3-8-22(18)28-23-11-10-20(31)16-26(23)33-29(24)28/h2-16H,1H3.
What are the key properties of 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine?
2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine has a molecular weight of 459.55 g/mol, XLogP of 9.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-fluoronaphtho[2,1-b][1]benzofuran-6-yl)-4-(3-methyl-1-benzothiophen-2-yl)pyridine is sourced from PubChem (CID 171423680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).