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

C23H18S — CID 100928449

IUPAC3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
SMILESC1=C(c2ccccc2)CSC2(C1)c1ccccc1-c1ccccc12
InChIInChI=1S/C23H18S/c1-2-8-17(9-3-1)18-14-15-23(24-16-18)21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-14H,15-16H2
InChIKeyDQQAZPYUSRRDPO-UHFFFAOYSA-N
MW326.46 g/mol
LogP6.13
Rot. Bonds1

About 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]

3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] (PubChem CID 100928449) has the molecular formula C23H18S and a molecular weight of 326.46 g/mol. Its IUPAC name is 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene].

Molecular Properties

Compound Name3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
PubChem CID100928449
Molecular FormulaC23H18S
Molecular Weight326.46 g/mol
Exact Mass326.11
IUPAC Name3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
SMILESC1=C(c2ccccc2)CSC2(C1)c1ccccc1-c1ccccc12
InChIInChI=1S/C23H18S/c1-2-8-17(9-3-1)18-14-15-23(24-16-18)21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-14H,15-16H2
InChIKeyDQQAZPYUSRRDPO-UHFFFAOYSA-N
XLogP6.13
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 ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6,6-triphenyl-2,5-dihydrothiopyran
CID 100928447
4-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]
CID 10592255
CID 10740828
CID 10740828
CID 58142464
CID 58142464
1-(2-phenylphenyl)cyclopropan-1-ol
CID 117300652
5-phenylspiro[1,3-dihydroindene-2,9'-fluorene]
CID 58793089
3,3'-diphenyl-9,9'-spirobi[fluorene]
CID 58789520
CID 69011285
CID 69011285
CID 175287047
CID 175287047
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
methane;3-phenyl-9,9'-spirobi[fluorene]
CID 145237340
1-(2-phenylphenyl)cyclopentan-1-ol
CID 23151757

Frequently Asked Questions

What is the IUPAC name of 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]?
The IUPAC name of 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] (CID 100928449) is 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene].
What is the SMILES notation for 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]?
The canonical SMILES for 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] is C1=C(c2ccccc2)CSC2(C1)c1ccccc1-c1ccccc12.
What is the InChIKey of 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]?
The InChIKey is DQQAZPYUSRRDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18S/c1-2-8-17(9-3-1)18-14-15-23(24-16-18)21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-14H,15-16H2.
What are the key properties of 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene]?
3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] has a molecular weight of 326.46 g/mol, XLogP of 6.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylspiro[2,5-dihydrothiopyran-6,9'-fluorene] is sourced from PubChem (CID 100928449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).