5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine

C22H14N2S2 — CID 118735947

IUPAC5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine
SMILESc1ccc(-c2ccc(-c3ncncc3-c3csc4ccccc34)s2)cc1
InChIInChI=1S/C22H14N2S2/c1-2-6-15(7-3-1)19-10-11-21(26-19)22-17(12-23-14-24-22)18-13-25-20-9-5-4-8-16(18)20/h1-14H
InChIKeyODZNJEYARXRPMH-UHFFFAOYSA-N
MW370.50 g/mol
LogP6.75
Rot. Bonds3

About 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine

5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine (PubChem CID 118735947) has the molecular formula C22H14N2S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine
PubChem CID118735947
Molecular FormulaC22H14N2S2
Molecular Weight370.50 g/mol
Exact Mass370.06
IUPAC Name5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine
SMILESc1ccc(-c2ccc(-c3ncncc3-c3csc4ccccc34)s2)cc1
InChIInChI=1S/C22H14N2S2/c1-2-6-15(7-3-1)19-10-11-21(26-19)22-17(12-23-14-24-22)18-13-25-20-9-5-4-8-16(18)20/h1-14H
InChIKeyODZNJEYARXRPMH-UHFFFAOYSA-N
XLogP6.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-phenylthiophen-2-yl)-3-[5-[5-[3-(5-phenylthiophen-2-yl)-2-benzothiophen-1-yl]thiophen-2-yl]thiophen-2-yl]-2-benzothiophene
CID 102473044
21-dibenzothiophen-4-yl-3-thia-9,11-diazapentacyclo[17.4.0.02,6.07,12.013,18]tricosa-1(19),2(6),4,7,9,11,13,15,17,20,22-undecaene
CID 147426506
3-(1-benzothiophen-3-yl)benzonitrile
CID 3358914
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
[1]benzothiolo[2,3-d]pyrimidine
CID 23330410
1-[2-(1-benzothiophen-3-yl)-1,3-thiazol-5-yl]-N-methylethanamine
CID 55108350
3-[7-[5-[7-(1-benzothiophen-3-yl)phenanthren-2-yl]thieno[3,2-b]thiophen-2-yl]phenanthren-2-yl]-1-benzothiophene
CID 156519802
N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-4-[4-(N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]-N-phenylaniline;4-N-[4-(1-benzothiophen-2-yl)phenyl]-1-N-[4-[4-(N-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]anilino)phenyl]phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine;N-[4-(1-benzothiophen-3-yl)phenyl]-4-[4-(N-[4-(1-benzothiophen-3-yl)phenyl]anilino)phenyl]-N-phenylaniline;N-[4-(1-benzothiophen-3-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-3-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline
CID 158887917
5-(1-benzothiophen-3-yl)-2-bromo-1H-imidazole
CID 116884338
2-[3,5-bis(5-phenylthiophen-2-yl)phenyl]-5-phenylthiophene
CID 11734344
1-N,4-N-bis[4-(1-benzothiophen-3-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 59720651
6-(1-benzothiophen-3-yl)-N-methyl-1,2,4-triazin-5-amine
CID 116823236

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine?
The IUPAC name of 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine (CID 118735947) is 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine.
What is the SMILES notation for 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine?
The canonical SMILES for 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine is c1ccc(-c2ccc(-c3ncncc3-c3csc4ccccc34)s2)cc1.
What is the InChIKey of 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine?
The InChIKey is ODZNJEYARXRPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2S2/c1-2-6-15(7-3-1)19-10-11-21(26-19)22-17(12-23-14-24-22)18-13-25-20-9-5-4-8-16(18)20/h1-14H.
What are the key properties of 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine?
5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine has a molecular weight of 370.50 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-3-yl)-4-(5-phenylthiophen-2-yl)pyrimidine is sourced from PubChem (CID 118735947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).