9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene

C35H34O4 — CID 68928055

IUPAC9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
SMILESC=COC(C)COc1ccc(C2(c3ccc(OCC(C)OC=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H34O4/c1-5-36-25(3)23-38-29-19-15-27(16-20-29)35(28-17-21-30(22-18-28)39-24-26(4)37-6-2)33-13-9-7-11-31(33)32-12-8-10-14-34(32)35/h5-22,25-26H,1-2,23-24H2,3-4H3
InChIKeyVXACYMWPURPSMG-UHFFFAOYSA-N
MW518.65 g/mol
LogP7.90
Rot. Bonds12

About 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene

9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene (PubChem CID 68928055) has the molecular formula C35H34O4 and a molecular weight of 518.65 g/mol. Its IUPAC name is 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
PubChem CID68928055
Molecular FormulaC35H34O4
Molecular Weight518.65 g/mol
Exact Mass518.25
IUPAC Name9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
SMILESC=COC(C)COc1ccc(C2(c3ccc(OCC(C)OC=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C35H34O4/c1-5-36-25(3)23-38-29-19-15-27(16-20-29)35(28-17-21-30(22-18-28)39-24-26(4)37-6-2)33-13-9-7-11-31(33)32-12-8-10-14-34(32)35/h5-22,25-26H,1-2,23-24H2,3-4H3
InChIKeyVXACYMWPURPSMG-UHFFFAOYSA-N
XLogP7.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 57.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene?
The IUPAC name of 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene (CID 68928055) is 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene?
The canonical SMILES for 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene is C=COC(C)COc1ccc(C2(c3ccc(OCC(C)OC=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene?
The InChIKey is VXACYMWPURPSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34O4/c1-5-36-25(3)23-38-29-19-15-27(16-20-29)35(28-17-21-30(22-18-28)39-24-26(4)37-6-2)33-13-9-7-11-31(33)32-12-8-10-14-34(32)35/h5-22,25-26H,1-2,23-24H2,3-4H3.
What are the key properties of 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene?
9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene has a molecular weight of 518.65 g/mol, XLogP of 7.90, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene is sourced from PubChem (CID 68928055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).