(7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate

C33H22O6S2 — CID 21234913

IUPAC(7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate
SMILESO=S(=O)(Oc1ccc2c(c1)Cc1cc(OS(=O)(=O)c3ccc4ccccc4c3)ccc1-2)c1ccc2ccccc2c1
InChIInChI=1S/C33H22O6S2/c34-40(35,30-13-9-22-5-1-3-7-24(22)20-30)38-28-11-15-32-26(18-28)17-27-19-29(12-16-33(27)32)39-41(36,37)31-14-10-23-6-2-4-8-25(23)21-31/h1-16,18-21H,17H2
InChIKeyFUISDXDGORTSEP-UHFFFAOYSA-N
MW578.67 g/mol
LogP7.10
Rot. Bonds6

About (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate

(7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate (PubChem CID 21234913) has the molecular formula C33H22O6S2 and a molecular weight of 578.67 g/mol. Its IUPAC name is (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate.

Molecular Properties

Compound Name(7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate
PubChem CID21234913
Molecular FormulaC33H22O6S2
Molecular Weight578.67 g/mol
Exact Mass578.09
IUPAC Name(7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate
SMILESO=S(=O)(Oc1ccc2c(c1)Cc1cc(OS(=O)(=O)c3ccc4ccccc4c3)ccc1-2)c1ccc2ccccc2c1
InChIInChI=1S/C33H22O6S2/c34-40(35,30-13-9-22-5-1-3-7-24(22)20-30)38-28-11-15-32-26(18-28)17-27-19-29(12-16-33(27)32)39-41(36,37)31-14-10-23-6-2-4-8-25(23)21-31/h1-16,18-21H,17H2
InChIKeyFUISDXDGORTSEP-UHFFFAOYSA-N
XLogP7.10
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.67
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

(3-nitrophenyl) naphthalene-2-sulfonate
CID 26947503
naphthalen-2-yl 4-ethoxybenzenesulfonate
CID 5017326
ethyl naphthalene-2-sulfonate;iron
CID 87451141
methoxy naphthalene-2-sulfonate
CID 154112569
hydrazinyl naphthalene-2-sulfonate
CID 87641318
propan-2-yl naphthalene-2-sulfonate
CID 54505211
(triphenyl-λ4-sulfanyl) naphthalene-2-sulfonate
CID 87177204
(9-oxo-10H-phenanthren-2-yl) sulfamate
CID 20817602
[4-(phenoxycarbamoylamino)phenyl] naphthalene-2-sulfonate
CID 172730685
[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] naphthalene-2-sulfonate
CID 2885608
(4-methyl-2-nitrophenyl) naphthalene-2-sulfonate
CID 26528430
1H-benzimidazol-2-yl naphthalene-2-sulfonate
CID 7559535

Frequently Asked Questions

What is the IUPAC name of (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate?
The IUPAC name of (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate (CID 21234913) is (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate.
What is the SMILES notation for (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate?
The canonical SMILES for (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate is O=S(=O)(Oc1ccc2c(c1)Cc1cc(OS(=O)(=O)c3ccc4ccccc4c3)ccc1-2)c1ccc2ccccc2c1.
What is the InChIKey of (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate?
The InChIKey is FUISDXDGORTSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22O6S2/c34-40(35,30-13-9-22-5-1-3-7-24(22)20-30)38-28-11-15-32-26(18-28)17-27-19-29(12-16-33(27)32)39-41(36,37)31-14-10-23-6-2-4-8-25(23)21-31/h1-16,18-21H,17H2.
What are the key properties of (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate?
(7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate has a molecular weight of 578.67 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-naphthalen-2-ylsulfonyloxy-9H-fluoren-2-yl) naphthalene-2-sulfonate is sourced from PubChem (CID 21234913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).