dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate

C96H92Cu2N4O18 — CID 139200940

IUPACdicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate
SMILESO.O.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C19H18O4.4C5H5N.2Cu.2H2O/c4*20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19;4*1-2-4-6-5-3-1;;;;/h4*1-8H,9-12H2,(H,20,21)(H,22,23);4*1-5H;;;2*1H2/q;;;;;;;;2*+2;;/p-4
InChIKeyGYQYWQIMLZKQDG-UHFFFAOYSA-J
MW1716.89 g/mol
LogP12.06
Rot. Bonds24

About dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate

dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate (PubChem CID 139200940) has the molecular formula C96H92Cu2N4O18 and a molecular weight of 1716.89 g/mol. Its IUPAC name is dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate.

Molecular Properties

Compound Namedicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate
PubChem CID139200940
Molecular FormulaC96H92Cu2N4O18
Molecular Weight1716.89 g/mol
Exact Mass1714.50
IUPAC Namedicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate
SMILESO.O.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C19H18O4.4C5H5N.2Cu.2H2O/c4*20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19;4*1-2-4-6-5-3-1;;;;/h4*1-8H,9-12H2,(H,20,21)(H,22,23);4*1-5H;;;2*1H2/q;;;;;;;;2*+2;;/p-4
InChIKeyGYQYWQIMLZKQDG-UHFFFAOYSA-J
XLogP12.06
TPSA424.28 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001716.89
LogP ≤ 512.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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Related Compounds

3-[9-(3-amino-3-oxopropyl)fluoren-9-yl]propanamide
CID 156840120
butanedioic acid;bis(pyridine)
CID 155388203
3-[9-(2-carboxyethyl)-2,7-dinaphthalen-1-ylfluoren-9-yl]propanoic acid
CID 155712883
3-[11-(2-carboxyethyl)-8-fluoroindeno[1,2-b]quinoxalin-11-yl]propanoic acid
CID 170115255
[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 118321624
ethane;[9-[3-[9-(hydroxymethyl)fluoren-9-yl]propyl]fluoren-9-yl]methanol
CID 144608460
2,2-dihydroxyindene-1,3-dione;pyridine
CID 67634501
tetrakis(2-chloroacetate);tetrakis(cobalt(3+));tris(dichloromethane);tetrakis(oxygen(2-));tetrakis(pyridine)
CID 139049867
(1R)-1-(2-carboxyethyl)-4-oxo-2,3-dihydronaphthalene-1-carboxylic acid
CID 3246065
4-(9-phenylfluoren-9-yl)pyridine
CID 130393979
tris(cobalt(3+));dichloromethane;manganese;tetrakis(oxygen(2-));tris(pyridine);pentaacetate
CID 139125431
3-[11-[2-[11-[3-(oxidoamino)-3-oxopropyl]-5,5a-dihydroindeno[1,2-b]quinolin-11-yl]ethyl]-5,5a-dihydroindeno[1,2-b]quinolin-11-yl]propanoic acid
CID 175623015

Frequently Asked Questions

What is the IUPAC name of dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate?
The IUPAC name of dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate (CID 139200940) is dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate.
What is the SMILES notation for dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate?
The canonical SMILES for dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate is O.O.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.O=C([O-])CCC1(CCC(=O)O)c2ccccc2-c2ccccc21.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate?
The InChIKey is GYQYWQIMLZKQDG-UHFFFAOYSA-J. The full InChI is InChI=1S/4C19H18O4.4C5H5N.2Cu.2H2O/c4*20-17(21)9-11-19(12-10-18(22)23)15-7-3-1-5-13(15)14-6-2-4-8-16(14)19;4*1-2-4-6-5-3-1;;;;/h4*1-8H,9-12H2,(H,20,21)(H,22,23);4*1-5H;;;2*1H2/q;;;;;;;;2*+2;;/p-4.
What are the key properties of dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate?
dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate has a molecular weight of 1716.89 g/mol, XLogP of 12.06, 24 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;tetrakis(3-[9-(2-carboxyethyl)fluoren-9-yl]propanoate);tetrakis(pyridine);dihydrate is sourced from PubChem (CID 139200940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).