6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]

C21H17NO2S — CID 53356494

IUPAC6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]
SMILESC1=Nc2ccsc2C2(OCCO2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO2S/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)15-22-18-11-14-25-19(18)21(20)23-12-13-24-21/h1-11,14-15H,12-13H2
InChIKeyMYYHZDVCBWSJPN-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.65
Rot. Bonds2

About 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]

6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine] (PubChem CID 53356494) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine].

Molecular Properties

Compound Name6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]
PubChem CID53356494
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]
SMILESC1=Nc2ccsc2C2(OCCO2)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17NO2S/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)15-22-18-11-14-25-19(18)21(20)23-12-13-24-21/h1-11,14-15H,12-13H2
InChIKeyMYYHZDVCBWSJPN-UHFFFAOYSA-N
XLogP4.65
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]?
The IUPAC name of 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine] (CID 53356494) is 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine].
What is the SMILES notation for 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]?
The canonical SMILES for 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine] is C1=Nc2ccsc2C2(OCCO2)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]?
The InChIKey is MYYHZDVCBWSJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c1-3-7-16(8-4-1)20(17-9-5-2-6-10-17)15-22-18-11-14-25-19(18)21(20)23-12-13-24-21/h1-11,14-15H,12-13H2.
What are the key properties of 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine]?
6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine] has a molecular weight of 347.44 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6',6'-diphenylspiro[1,3-dioxolane-2,7'-thieno[3,2-b]pyridine] is sourced from PubChem (CID 53356494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).