9-(4-ethoxyphenyl)-9-phenylfluorene

C27H22O — CID 135250989

IUPAC9-(4-ethoxyphenyl)-9-phenylfluorene
SMILESCCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22O/c1-2-28-22-18-16-21(17-19-22)27(20-10-4-3-5-11-20)25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h3-19H,2H2,1H3
InChIKeyJJPGTGYVSIUKAQ-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.45
Rot. Bonds4

About 9-(4-ethoxyphenyl)-9-phenylfluorene

9-(4-ethoxyphenyl)-9-phenylfluorene (PubChem CID 135250989) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is 9-(4-ethoxyphenyl)-9-phenylfluorene.

Molecular Properties

Compound Name9-(4-ethoxyphenyl)-9-phenylfluorene
PubChem CID135250989
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name9-(4-ethoxyphenyl)-9-phenylfluorene
SMILESCCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C27H22O/c1-2-28-22-18-16-21(17-19-22)27(20-10-4-3-5-11-20)25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h3-19H,2H2,1H3
InChIKeyJJPGTGYVSIUKAQ-UHFFFAOYSA-N
XLogP6.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-(4-ethoxyphenyl)-9-phenylfluorene?
The IUPAC name of 9-(4-ethoxyphenyl)-9-phenylfluorene (CID 135250989) is 9-(4-ethoxyphenyl)-9-phenylfluorene.
What is the SMILES notation for 9-(4-ethoxyphenyl)-9-phenylfluorene?
The canonical SMILES for 9-(4-ethoxyphenyl)-9-phenylfluorene is CCOc1ccc(C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-(4-ethoxyphenyl)-9-phenylfluorene?
The InChIKey is JJPGTGYVSIUKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c1-2-28-22-18-16-21(17-19-22)27(20-10-4-3-5-11-20)25-14-8-6-12-23(25)24-13-7-9-15-26(24)27/h3-19H,2H2,1H3.
What are the key properties of 9-(4-ethoxyphenyl)-9-phenylfluorene?
9-(4-ethoxyphenyl)-9-phenylfluorene has a molecular weight of 362.47 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethoxyphenyl)-9-phenylfluorene is sourced from PubChem (CID 135250989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).