9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene

C27H24 — CID 101084307

IUPAC9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C1=CC(c2ccccc2)=CC1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H24/c1-27(2,21-17-16-20(18-21)19-10-4-3-5-11-19)26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-16,18,26H,17H2,1-2H3
InChIKeyVEFXVNSQGMNXLX-UHFFFAOYSA-N
MW348.49 g/mol
LogP7.24
Rot. Bonds3

About 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene

9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene (PubChem CID 101084307) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
PubChem CID101084307
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C1=CC(c2ccccc2)=CC1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C27H24/c1-27(2,21-17-16-20(18-21)19-10-4-3-5-11-19)26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-16,18,26H,17H2,1-2H3
InChIKeyVEFXVNSQGMNXLX-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene?
The IUPAC name of 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene (CID 101084307) is 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene.
What is the SMILES notation for 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene?
The canonical SMILES for 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene is CC(C)(C1=CC(c2ccccc2)=CC1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene?
The InChIKey is VEFXVNSQGMNXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-27(2,21-17-16-20(18-21)19-10-4-3-5-11-19)26-24-14-8-6-12-22(24)23-13-7-9-15-25(23)26/h3-16,18,26H,17H2,1-2H3.
What are the key properties of 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene?
9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene has a molecular weight of 348.49 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3-phenylcyclopenta-1,3-dien-1-yl)propan-2-yl]-9H-fluorene is sourced from PubChem (CID 101084307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).