2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid

C31H26O2 — CID 118344172

IUPAC2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid
SMILESCC(C1(C)c2ccccc2-c2ccccc21)C1(CC(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H26O2/c1-20(30(2)25-15-7-3-11-21(25)22-12-4-8-16-26(22)30)31(19-29(32)33)27-17-9-5-13-23(27)24-14-6-10-18-28(24)31/h3-18,20H,19H2,1-2H3,(H,32,33)
InChIKeyVEOPCSWOXHDGAH-UHFFFAOYSA-N
MW430.55 g/mol
LogP7.05
Rot. Bonds4

About 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid

2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid (PubChem CID 118344172) has the molecular formula C31H26O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid.

Molecular Properties

Compound Name2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid
PubChem CID118344172
Molecular FormulaC31H26O2
Molecular Weight430.55 g/mol
Exact Mass430.19
IUPAC Name2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid
SMILESCC(C1(C)c2ccccc2-c2ccccc21)C1(CC(=O)O)c2ccccc2-c2ccccc21
InChIInChI=1S/C31H26O2/c1-20(30(2)25-15-7-3-11-21(25)22-12-4-8-16-26(22)30)31(19-29(32)33)27-17-9-5-13-23(27)24-14-6-10-18-28(24)31/h3-18,20H,19H2,1-2H3,(H,32,33)
InChIKeyVEOPCSWOXHDGAH-UHFFFAOYSA-N
XLogP7.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid?
The IUPAC name of 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid (CID 118344172) is 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid.
What is the SMILES notation for 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid?
The canonical SMILES for 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid is CC(C1(C)c2ccccc2-c2ccccc21)C1(CC(=O)O)c2ccccc2-c2ccccc21.
What is the InChIKey of 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid?
The InChIKey is VEOPCSWOXHDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26O2/c1-20(30(2)25-15-7-3-11-21(25)22-12-4-8-16-26(22)30)31(19-29(32)33)27-17-9-5-13-23(27)24-14-6-10-18-28(24)31/h3-18,20H,19H2,1-2H3,(H,32,33).
What are the key properties of 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid?
2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid has a molecular weight of 430.55 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-[1-(9-methylfluoren-9-yl)ethyl]fluoren-9-yl]acetic acid is sourced from PubChem (CID 118344172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).