2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene

C22H18S2 — CID 131857214

IUPAC2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene
SMILESc1ccc([C@H](c2cccs2)[C@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H18S2/c1-3-9-17(10-4-1)21(19-13-7-15-23-19)22(20-14-8-16-24-20)18-11-5-2-6-12-18/h1-16,21-22H/t21-,22-/m1/s1
InChIKeyKTZDLVILDNCAED-FGZHOGPDSA-N
MW346.52 g/mol
LogP6.77
Rot. Bonds5

About 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene

2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene (PubChem CID 131857214) has the molecular formula C22H18S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene.

Molecular Properties

Compound Name2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene
PubChem CID131857214
Molecular FormulaC22H18S2
Molecular Weight346.52 g/mol
Exact Mass346.08
IUPAC Name2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene
SMILESc1ccc([C@H](c2cccs2)[C@H](c2ccccc2)c2cccs2)cc1
InChIInChI=1S/C22H18S2/c1-3-9-17(10-4-1)21(19-13-7-15-23-19)22(20-14-8-16-24-20)18-11-5-2-6-12-18/h1-16,21-22H/t21-,22-/m1/s1
InChIKeyKTZDLVILDNCAED-FGZHOGPDSA-N
XLogP6.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[iodo(phenyl)methyl]thiophene
CID 170552548
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
[phenyl(thiophen-2-yl)methyl]hydrazine
CID 53403118
2-propan-2-ylthiophene
CID 178128598
3-amino-1-phenyl-2-thiophen-2-ylpropan-1-ol
CID 65190294
2-methyl-1-phenyl-N-[(1R)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398198
1-phenyl-N-[(1S)-1-thiophen-2-ylethyl]propan-1-amine
CID 81398812
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
cumene;2,3-dimethylbutane;propan-2-ylcyclopropane;2-propan-2-ylthiophene
CID 159329708
ethane;phenol;2-propan-2-ylthiophene
CID 161233504
[3-(difluoromethyl)phenyl]-thiophen-2-ylmethanol
CID 115527711

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene?
The IUPAC name of 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene (CID 131857214) is 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene.
What is the SMILES notation for 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene?
The canonical SMILES for 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene is c1ccc([C@H](c2cccs2)[C@H](c2ccccc2)c2cccs2)cc1.
What is the InChIKey of 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene?
The InChIKey is KTZDLVILDNCAED-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H18S2/c1-3-9-17(10-4-1)21(19-13-7-15-23-19)22(20-14-8-16-24-20)18-11-5-2-6-12-18/h1-16,21-22H/t21-,22-/m1/s1.
What are the key properties of 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene?
2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene has a molecular weight of 346.52 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-1,2-diphenyl-2-thiophen-2-ylethyl]thiophene is sourced from PubChem (CID 131857214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).