5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]

C23H18S — CID 10734920

IUPAC5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
SMILESC1=CC(c2ccccc2)C2(SC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C23H18S/c1-2-9-17(10-3-1)20-15-8-16-24-23(20)21-13-6-4-11-18(21)19-12-5-7-14-22(19)23/h1-15,20H,16H2
InChIKeyPVNMNQALKUUDOG-UHFFFAOYSA-N
MW326.46 g/mol
LogP6.00
Rot. Bonds1

About 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]

5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] (PubChem CID 10734920) has the molecular formula C23H18S and a molecular weight of 326.46 g/mol. Its IUPAC name is 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene].

Molecular Properties

Compound Name5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
PubChem CID10734920
Molecular FormulaC23H18S
Molecular Weight326.46 g/mol
Exact Mass326.11
IUPAC Name5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
SMILESC1=CC(c2ccccc2)C2(SC1)c1ccccc1-c1ccccc12
InChIInChI=1S/C23H18S/c1-2-9-17(10-3-1)20-15-8-16-24-23(20)21-13-6-4-11-18(21)19-12-5-7-14-22(19)23/h1-15,20H,16H2
InChIKeyPVNMNQALKUUDOG-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]?
The IUPAC name of 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] (CID 10734920) is 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene].
What is the SMILES notation for 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]?
The canonical SMILES for 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] is C1=CC(c2ccccc2)C2(SC1)c1ccccc1-c1ccccc12.
What is the InChIKey of 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]?
The InChIKey is PVNMNQALKUUDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18S/c1-2-9-17(10-3-1)20-15-8-16-24-23(20)21-13-6-4-11-18(21)19-12-5-7-14-22(19)23/h1-15,20H,16H2.
What are the key properties of 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]?
5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] has a molecular weight of 326.46 g/mol, XLogP of 6.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] is sourced from PubChem (CID 10734920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).