9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene

C29H30 — CID 91324223

IUPAC9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene
SMILESC=CCCC(c1ccccc1)(C1CCCC1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H30/c1-2-3-21-29(23-15-7-8-16-23,22-13-5-4-6-14-22)28-26-19-11-9-17-24(26)25-18-10-12-20-27(25)28/h2,4-6,9-14,17-20,23,28H,1,3,7-8,15-16,21H2
InChIKeyZTSZBGQRAMQOSD-UHFFFAOYSA-N
MW378.56 g/mol
LogP7.89
Rot. Bonds6

About 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene

9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene (PubChem CID 91324223) has the molecular formula C29H30 and a molecular weight of 378.56 g/mol. Its IUPAC name is 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene.

Molecular Properties

Compound Name9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene
PubChem CID91324223
Molecular FormulaC29H30
Molecular Weight378.56 g/mol
Exact Mass378.23
IUPAC Name9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene
SMILESC=CCCC(c1ccccc1)(C1CCCC1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C29H30/c1-2-3-21-29(23-15-7-8-16-23,22-13-5-4-6-14-22)28-26-19-11-9-17-24(26)25-18-10-12-20-27(25)28/h2,4-6,9-14,17-20,23,28H,1,3,7-8,15-16,21H2
InChIKeyZTSZBGQRAMQOSD-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.56
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(1-cyclopentyl-1-phenylhex-5-enyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-fluorene
CID 58883143
1,1-diphenylpent-4-en-1-amine
CID 102295553
9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
CID 161408642
9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene
CID 159062487
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
CID 18402444
9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride
CID 22572576
2-but-3-enyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)hex-5-enoic acid
CID 86280418
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene;zirconium(2+);dichloride
CID 18402443
1,3-diphenylhept-6-en-3-ylbenzene
CID 160526868
1,5-dicyclohexyl-1,5-diphenylpentane-1,5-diol
CID 10717043
9-(1-chloro-1-phenylethyl)-9H-fluorene
CID 18987529
1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane
CID 140967319

Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene?
The IUPAC name of 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene (CID 91324223) is 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene.
What is the SMILES notation for 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene?
The canonical SMILES for 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene is C=CCCC(c1ccccc1)(C1CCCC1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene?
The InChIKey is ZTSZBGQRAMQOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30/c1-2-3-21-29(23-15-7-8-16-23,22-13-5-4-6-14-22)28-26-19-11-9-17-24(26)25-18-10-12-20-27(25)28/h2,4-6,9-14,17-20,23,28H,1,3,7-8,15-16,21H2.
What are the key properties of 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene?
9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene has a molecular weight of 378.56 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene is sourced from PubChem (CID 91324223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).