9,9-bis(4-propoxyphenyl)fluorene;ethane

C39H54O2 — CID 90994081

IUPAC9,9-bis(4-propoxyphenyl)fluorene;ethane
SMILESCC.CC.CC.CC.CCCOc1ccc(C2(c3ccc(OCCC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H30O2.4C2H6/c1-3-21-32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22-4-2)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31;4*1-2/h5-20H,3-4,21-22H2,1-2H3;4*1-2H3
InChIKeyIWHAQRLIYMFUHP-UHFFFAOYSA-N
MW554.86 g/mol
LogP11.73
Rot. Bonds8

About 9,9-bis(4-propoxyphenyl)fluorene;ethane

9,9-bis(4-propoxyphenyl)fluorene;ethane (PubChem CID 90994081) has the molecular formula C39H54O2 and a molecular weight of 554.86 g/mol. Its IUPAC name is 9,9-bis(4-propoxyphenyl)fluorene;ethane.

Molecular Properties

Compound Name9,9-bis(4-propoxyphenyl)fluorene;ethane
PubChem CID90994081
Molecular FormulaC39H54O2
Molecular Weight554.86 g/mol
Exact Mass554.41
IUPAC Name9,9-bis(4-propoxyphenyl)fluorene;ethane
SMILESCC.CC.CC.CC.CCCOc1ccc(C2(c3ccc(OCCC)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H30O2.4C2H6/c1-3-21-32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22-4-2)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31;4*1-2/h5-20H,3-4,21-22H2,1-2H3;4*1-2H3
InChIKeyIWHAQRLIYMFUHP-UHFFFAOYSA-N
XLogP11.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.86
LogP ≤ 511.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
9-[4-(3-butoxypropoxy)phenyl]-9-[4-(3-chloropropoxy)phenyl]fluorene
CID 71465071
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
9,9-bis[4-(methoxymethoxy)phenyl]fluorene
CID 58090347
9,9-bis[4-(2-ethenoxyethoxy)phenyl]fluorene
CID 68925049
9,9-bis(4-methoxyphenyl)fluorene;ethane
CID 159536685
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
4-[9-[4-[4-[4-[9-(4-methoxyphenyl)fluoren-9-yl]phenoxy]butoxy]phenyl]fluoren-9-yl]phenol
CID 118232233
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
CID 18704292
1-[4-[9-[4-(2-sulfanylbutoxy)phenyl]fluoren-9-yl]phenoxy]butane-2-thiol
CID 161470693
1-[4-[9-[4-(2-hydroxybutoxy)phenyl]fluoren-9-yl]phenoxy]butan-2-ol
CID 139725546

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-propoxyphenyl)fluorene;ethane?
The IUPAC name of 9,9-bis(4-propoxyphenyl)fluorene;ethane (CID 90994081) is 9,9-bis(4-propoxyphenyl)fluorene;ethane.
What is the SMILES notation for 9,9-bis(4-propoxyphenyl)fluorene;ethane?
The canonical SMILES for 9,9-bis(4-propoxyphenyl)fluorene;ethane is CC.CC.CC.CC.CCCOc1ccc(C2(c3ccc(OCCC)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9,9-bis(4-propoxyphenyl)fluorene;ethane?
The InChIKey is IWHAQRLIYMFUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O2.4C2H6/c1-3-21-32-25-17-13-23(14-18-25)31(24-15-19-26(20-16-24)33-22-4-2)29-11-7-5-9-27(29)28-10-6-8-12-30(28)31;4*1-2/h5-20H,3-4,21-22H2,1-2H3;4*1-2H3.
What are the key properties of 9,9-bis(4-propoxyphenyl)fluorene;ethane?
9,9-bis(4-propoxyphenyl)fluorene;ethane has a molecular weight of 554.86 g/mol, XLogP of 11.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-propoxyphenyl)fluorene;ethane is sourced from PubChem (CID 90994081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).