7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]

C33H20F2O7S2 — CID 171538274

IUPAC7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]
SMILESO=S(=O)(F)Oc1ccc2c3c(ccc2c1)C1(c2ccccc2C2C=CC=CC21)c1ccc2cc(OS(=O)(=O)F)ccc2c1O3
InChIInChI=1S/C33H20F2O7S2/c34-43(36,37)41-21-11-13-23-19(17-21)9-15-29-31(23)40-32-24-14-12-22(42-44(35,38)39)18-20(24)10-16-30(32)33(29)27-7-3-1-5-25(27)26-6-2-4-8-28(26)33/h1-18,25,27H
InChIKeyXHHDCGNIOTYCID-UHFFFAOYSA-N
MW630.65 g/mol
LogP7.46
Rot. Bonds4

About 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]

7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene] (PubChem CID 171538274) has the molecular formula C33H20F2O7S2 and a molecular weight of 630.65 g/mol. Its IUPAC name is 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene].

Molecular Properties

Compound Name7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]
PubChem CID171538274
Molecular FormulaC33H20F2O7S2
Molecular Weight630.65 g/mol
Exact Mass630.06
IUPAC Name7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]
SMILESO=S(=O)(F)Oc1ccc2c3c(ccc2c1)C1(c2ccccc2C2C=CC=CC21)c1ccc2cc(OS(=O)(=O)F)ccc2c1O3
InChIInChI=1S/C33H20F2O7S2/c34-43(36,37)41-21-11-13-23-19(17-21)9-15-29-31(23)40-32-24-14-12-22(42-44(35,38)39)18-20(24)10-16-30(32)33(29)27-7-3-1-5-25(27)26-6-2-4-8-28(26)33/h1-18,25,27H
InChIKeyXHHDCGNIOTYCID-UHFFFAOYSA-N
XLogP7.46
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.65
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]?
The IUPAC name of 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene] (CID 171538274) is 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene].
What is the SMILES notation for 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]?
The canonical SMILES for 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene] is O=S(=O)(F)Oc1ccc2c3c(ccc2c1)C1(c2ccccc2C2C=CC=CC21)c1ccc2cc(OS(=O)(=O)F)ccc2c1O3.
What is the InChIKey of 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]?
The InChIKey is XHHDCGNIOTYCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20F2O7S2/c34-43(36,37)41-21-11-13-23-19(17-21)9-15-29-31(23)40-32-24-14-12-22(42-44(35,38)39)18-20(24)10-16-30(32)33(29)27-7-3-1-5-25(27)26-6-2-4-8-28(26)33/h1-18,25,27H.
What are the key properties of 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene]?
7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene] has a molecular weight of 630.65 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-bis(fluorosulfonyloxy)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene-13,9'-4a,9a-dihydrofluorene] is sourced from PubChem (CID 171538274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).