2-deuterio-5-phenyl-1-benzothiophene

C14H10S — CID 163287192

IUPAC2-deuterio-5-phenyl-1-benzothiophene
SMILES[2H]c1cc2cc(-c3ccccc3)ccc2s1
InChIInChI=1S/C14H10S/c1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14/h1-10H/i9D
InChIKeyBJHKTBMMYSYOLJ-QOWOAITPSA-N
MW211.31 g/mol
LogP4.57
Rot. Bonds1

About 2-deuterio-5-phenyl-1-benzothiophene

2-deuterio-5-phenyl-1-benzothiophene (PubChem CID 163287192) has the molecular formula C14H10S and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-deuterio-5-phenyl-1-benzothiophene.

Molecular Properties

Compound Name2-deuterio-5-phenyl-1-benzothiophene
PubChem CID163287192
Molecular FormulaC14H10S
Molecular Weight211.31 g/mol
Exact Mass211.06
IUPAC Name2-deuterio-5-phenyl-1-benzothiophene
SMILES[2H]c1cc2cc(-c3ccccc3)ccc2s1
InChIInChI=1S/C14H10S/c1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14/h1-10H/i9D
InChIKeyBJHKTBMMYSYOLJ-QOWOAITPSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-2-yl-1-benzothiophene
CID 101067943
2,7-diphenylanthracene
CID 154020316
1,4-bis[3-(3-phenylphenyl)phenyl]benzene
CID 123341500
1-phenyl-4-[3-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 12623236
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
2,8-bis(3-naphthalen-2-yl-5-phenylphenyl)dibenzothiophene
CID 58971382
5-[5-(1-benzothiophen-5-yl)-1,1-dimethyl-3,4-diphenylsilol-2-yl]-1-benzothiophene
CID 122365519
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
2-(1-benzothiophen-5-yl)-4-chrysen-3-yl-6-phenyl-1,3,5-triazine
CID 159314733
benzo[f]azulene
CID 13065869

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-5-phenyl-1-benzothiophene?
The IUPAC name of 2-deuterio-5-phenyl-1-benzothiophene (CID 163287192) is 2-deuterio-5-phenyl-1-benzothiophene.
What is the SMILES notation for 2-deuterio-5-phenyl-1-benzothiophene?
The canonical SMILES for 2-deuterio-5-phenyl-1-benzothiophene is [2H]c1cc2cc(-c3ccccc3)ccc2s1.
What is the InChIKey of 2-deuterio-5-phenyl-1-benzothiophene?
The InChIKey is BJHKTBMMYSYOLJ-QOWOAITPSA-N. The full InChI is InChI=1S/C14H10S/c1-2-4-11(5-3-1)12-6-7-14-13(10-12)8-9-15-14/h1-10H/i9D.
What are the key properties of 2-deuterio-5-phenyl-1-benzothiophene?
2-deuterio-5-phenyl-1-benzothiophene has a molecular weight of 211.31 g/mol, XLogP of 4.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-5-phenyl-1-benzothiophene is sourced from PubChem (CID 163287192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).