9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene

C23H22 — CID 57275436

IUPAC9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene
SMILESCC(C)(C=CC1c2ccccc2-c2ccccc21)C1=CC=CC1
InChIInChI=1S/C23H22/c1-23(2,17-9-3-4-10-17)16-15-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h3-9,11-16,22H,10H2,1-2H3
InChIKeyVXQLDRXRUOTZOY-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.27
Rot. Bonds3

About 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene

9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene (PubChem CID 57275436) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene.

Molecular Properties

Compound Name9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene
PubChem CID57275436
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Name9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene
SMILESCC(C)(C=CC1c2ccccc2-c2ccccc21)C1=CC=CC1
InChIInChI=1S/C23H22/c1-23(2,17-9-3-4-10-17)16-15-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h3-9,11-16,22H,10H2,1-2H3
InChIKeyVXQLDRXRUOTZOY-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene with MolForge

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Related Compounds

9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride
CID 174295322
9-(5-cyclopenta-1,3-dien-1-ylhex-1-enyl)-9H-fluorene
CID 90908374
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
CID 18402444
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene;zirconium(2+);dichloride
CID 18402443
1-[(E)-2-cyclopenta-1,3-dien-1-ylhex-3-en-2-yl]-9H-fluorene
CID 22373058
9-(cyclopenta-1,3-dien-1-ylmethyl)-9H-fluorene;zirconium(2+);dichloride
CID 23443914
3-(9H-fluoren-9-yl)prop-2-enenitrile
CID 175423309
9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-2,7-diphenyl-9H-fluorene;zirconium
CID 173284031
2,7-dibromo-9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene
CID 22358360
9H-fluorene-9-carbaldehyde
CID 11074281
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
2-cyclopenta-1,3-dien-1-yl-N-(2-methylpent-3-en-2-yl)aniline
CID 174460358

Frequently Asked Questions

What is the IUPAC name of 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene?
The IUPAC name of 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene (CID 57275436) is 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene.
What is the SMILES notation for 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene?
The canonical SMILES for 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene is CC(C)(C=CC1c2ccccc2-c2ccccc21)C1=CC=CC1.
What is the InChIKey of 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene?
The InChIKey is VXQLDRXRUOTZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22/c1-23(2,17-9-3-4-10-17)16-15-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h3-9,11-16,22H,10H2,1-2H3.
What are the key properties of 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene?
9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene has a molecular weight of 298.43 g/mol, XLogP of 6.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene is sourced from PubChem (CID 57275436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).