methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate

C30H24O2 — CID 129253051

IUPACmethyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate
SMILESCCC1(C2(C(=O)OC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H24O2/c1-3-29(24-16-8-4-12-20(24)21-13-5-9-17-25(21)29)30(28(31)32-2)26-18-10-6-14-22(26)23-15-7-11-19-27(23)30/h4-19H,3H2,1-2H3
InChIKeyQIFLUUPTHDWXEW-UHFFFAOYSA-N
MW416.52 g/mol
LogP6.50
Rot. Bonds3

About methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate

methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate (PubChem CID 129253051) has the molecular formula C30H24O2 and a molecular weight of 416.52 g/mol. Its IUPAC name is methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate
PubChem CID129253051
Molecular FormulaC30H24O2
Molecular Weight416.52 g/mol
Exact Mass416.18
IUPAC Namemethyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate
SMILESCCC1(C2(C(=O)OC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H24O2/c1-3-29(24-16-8-4-12-20(24)21-13-5-9-17-25(21)29)30(28(31)32-2)26-18-10-6-14-22(26)23-15-7-11-19-27(23)30/h4-19H,3H2,1-2H3
InChIKeyQIFLUUPTHDWXEW-UHFFFAOYSA-N
XLogP6.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate?
The IUPAC name of methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate (CID 129253051) is methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate.
What is the SMILES notation for methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate?
The canonical SMILES for methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate is CCC1(C2(C(=O)OC)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21.
What is the InChIKey of methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate?
The InChIKey is QIFLUUPTHDWXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O2/c1-3-29(24-16-8-4-12-20(24)21-13-5-9-17-25(21)29)30(28(31)32-2)26-18-10-6-14-22(26)23-15-7-11-19-27(23)30/h4-19H,3H2,1-2H3.
What are the key properties of methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate?
methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate has a molecular weight of 416.52 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(9-ethylfluoren-9-yl)fluorene-9-carboxylate is sourced from PubChem (CID 129253051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).