bis(9H-fluorene);bis(prop-2-enoic acid)

C32H28O4 — CID 175756220

IUPACbis(9H-fluorene);bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.2C3H4O2/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-3(4)5/h2*1-8H,9H2;2*2H,1H2,(H,4,5)
InChIKeyBWNSWMIXSBRGBS-UHFFFAOYSA-N
MW476.57 g/mol
LogP7.03
Rot. Bonds2

About bis(9H-fluorene);bis(prop-2-enoic acid)

bis(9H-fluorene);bis(prop-2-enoic acid) (PubChem CID 175756220) has the molecular formula C32H28O4 and a molecular weight of 476.57 g/mol. Its IUPAC name is bis(9H-fluorene);bis(prop-2-enoic acid).

Molecular Properties

Compound Namebis(9H-fluorene);bis(prop-2-enoic acid)
PubChem CID175756220
Molecular FormulaC32H28O4
Molecular Weight476.57 g/mol
Exact Mass476.20
IUPAC Namebis(9H-fluorene);bis(prop-2-enoic acid)
SMILESC=CC(=O)O.C=CC(=O)O.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/2C13H10.2C3H4O2/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-3(4)5/h2*1-8H,9H2;2*2H,1H2,(H,4,5)
InChIKeyBWNSWMIXSBRGBS-UHFFFAOYSA-N
XLogP7.03
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
acetic acid;azane;9H-fluorene
CID 174966259
9H-fluorene;formic acid
CID 175878260
ethene;9H-fluorene
CID 159544077
9H-fluorene;propanoic acid
CID 67831567
9H-fluorene;oxozirconium
CID 174355249
9H-fluorene;oxophosphane
CID 174601741
chromium;9H-fluorene
CID 161167703
cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917

Frequently Asked Questions

What is the IUPAC name of bis(9H-fluorene);bis(prop-2-enoic acid)?
The IUPAC name of bis(9H-fluorene);bis(prop-2-enoic acid) (CID 175756220) is bis(9H-fluorene);bis(prop-2-enoic acid).
What is the SMILES notation for bis(9H-fluorene);bis(prop-2-enoic acid)?
The canonical SMILES for bis(9H-fluorene);bis(prop-2-enoic acid) is C=CC(=O)O.C=CC(=O)O.c1ccc2c(c1)Cc1ccccc1-2.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of bis(9H-fluorene);bis(prop-2-enoic acid)?
The InChIKey is BWNSWMIXSBRGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H10.2C3H4O2/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*1-2-3(4)5/h2*1-8H,9H2;2*2H,1H2,(H,4,5).
What are the key properties of bis(9H-fluorene);bis(prop-2-enoic acid)?
bis(9H-fluorene);bis(prop-2-enoic acid) has a molecular weight of 476.57 g/mol, XLogP of 7.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(9H-fluorene);bis(prop-2-enoic acid) is sourced from PubChem (CID 175756220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).