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

C33H30O4 — CID 68925049

IUPAC9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
SMILESC=COCCOc1ccc(C2(c3ccc(OCCOC=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H30O4/c1-3-34-21-23-36-27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)37-24-22-35-4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h3-20H,1-2,21-24H2
InChIKeySHSCXWVZYQVIHG-UHFFFAOYSA-N
MW490.60 g/mol
LogP7.13
Rot. Bonds12

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

9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene (PubChem CID 68925049) has the molecular formula C33H30O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene.

Molecular Properties

Compound Name9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
PubChem CID68925049
Molecular FormulaC33H30O4
Molecular Weight490.60 g/mol
Exact Mass490.21
IUPAC Name9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
SMILESC=COCCOc1ccc(C2(c3ccc(OCCOC=C)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C33H30O4/c1-3-34-21-23-36-27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)37-24-22-35-4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h3-20H,1-2,21-24H2
InChIKeySHSCXWVZYQVIHG-UHFFFAOYSA-N
XLogP7.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-phenyl-9-[4-(2-prop-2-enoxyethoxy)phenyl]fluorene
CID 135250997
9,9-bis(4-propoxyphenyl)fluorene;ethane
CID 90994081
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 155473515
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl hypoiodite
CID 163468079
9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
CID 68928055
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
prop-2-enyl 3-[4-[9-[4-(3-oxo-3-prop-2-enoxypropoxy)phenyl]fluoren-9-yl]phenoxy]propanoate
CID 100914057
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9-methyl-9-[4-[2-[4-(9-methylfluoren-9-yl)phenoxy]ethoxy]phenyl]fluorene
CID 121288776
2-[4-[7-[4-(2-prop-2-enoyloxyethoxy)phenyl]benzo[a]phenalen-7-yl]phenoxy]ethyl prop-2-enoate
CID 118230473

Frequently Asked Questions

What is the IUPAC name of 9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene?
The IUPAC name of 9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene (CID 68925049) is 9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene.
What is the SMILES notation for 9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene?
The canonical SMILES for 9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene is C=COCCOc1ccc(C2(c3ccc(OCCOC=C)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene?
The InChIKey is SHSCXWVZYQVIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30O4/c1-3-34-21-23-36-27-17-13-25(14-18-27)33(26-15-19-28(20-16-26)37-24-22-35-4-2)31-11-7-5-9-29(31)30-10-6-8-12-32(30)33/h3-20H,1-2,21-24H2.
What are the key properties of 9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene?
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene has a molecular weight of 490.60 g/mol, XLogP of 7.13, 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-ethenoxyethoxy)phenyl]fluorene is sourced from PubChem (CID 68925049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).