9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene

C25H20 — CID 58097745

IUPAC9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene
SMILESC1=CC(C(c2ccccc2)C2c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C25H20/c1-2-10-18(11-3-1)24(19-12-4-5-13-19)25-22-16-8-6-14-20(22)21-15-7-9-17-23(21)25/h1-17,19,24-25H
InChIKeyMOBBGQQULQIEQX-UHFFFAOYSA-N
MW320.44 g/mol
LogP6.32
Rot. Bonds3

About 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene

9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene (PubChem CID 58097745) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene.

Molecular Properties

Compound Name9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene
PubChem CID58097745
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene
SMILESC1=CC(C(c2ccccc2)C2c3ccccc3-c3ccccc32)C=C1
InChIInChI=1S/C25H20/c1-2-10-18(11-3-1)24(19-12-4-5-13-19)25-22-16-8-6-14-20(22)21-15-7-9-17-23(21)25/h1-17,19,24-25H
InChIKeyMOBBGQQULQIEQX-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene?
The IUPAC name of 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene (CID 58097745) is 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene.
What is the SMILES notation for 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene?
The canonical SMILES for 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene is C1=CC(C(c2ccccc2)C2c3ccccc3-c3ccccc32)C=C1.
What is the InChIKey of 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene?
The InChIKey is MOBBGQQULQIEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-2-10-18(11-3-1)24(19-12-4-5-13-19)25-22-16-8-6-14-20(22)21-15-7-9-17-23(21)25/h1-17,19,24-25H.
What are the key properties of 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene?
9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene has a molecular weight of 320.44 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene is sourced from PubChem (CID 58097745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).