9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene

C26H28 — CID 159062487

IUPAC9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene
SMILESC=CCCC(C(C)C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H28/c1-4-5-18-26(19(2)3,20-12-6-7-13-20)25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h4,6-17,19-20,25H,1,5,18H2,2-3H3
InChIKeyOQLALFOXLDVLHY-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.15
Rot. Bonds6

About 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene

9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene (PubChem CID 159062487) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene.

Molecular Properties

Compound Name9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene
PubChem CID159062487
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene
SMILESC=CCCC(C(C)C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H28/c1-4-5-18-26(19(2)3,20-12-6-7-13-20)25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h4,6-17,19-20,25H,1,5,18H2,2-3H3
InChIKeyOQLALFOXLDVLHY-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene with MolForge

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Related Compounds

9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
CID 161408642
9-(2-cyclopenta-2,4-dien-1-ylpent-4-en-2-yl)-9H-fluorene
CID 11385650
1,1-dichlorohex-5-enyl-bis(9H-fluoren-9-yl)-methylsilane
CID 140967319
9-(1-cyclopentyl-1-phenylpent-4-enyl)-9H-fluorene
CID 91324223
9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride
CID 22572576
trichloro-[5-cyclopenta-2,4-dien-1-yl-5-(9H-fluoren-9-yl)hexyl]silane
CID 154420962
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
9-[cyclopenta-2,4-dien-1-yl-(3-ethenoxyphenyl)-phenylmethyl]-9H-fluorene
CID 170895253
9-[bis(4-chlorophenyl)-cyclopenta-2,4-dien-1-ylmethyl]-9H-fluorene
CID 101371835
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
CID 18402444
9-methyl-9H-fluorene;prop-1-ene
CID 145012304
4-but-3-enyl-1-methyl-3,4-dihydroisoquinoline
CID 155931583

Frequently Asked Questions

What is the IUPAC name of 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene?
The IUPAC name of 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene (CID 159062487) is 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene.
What is the SMILES notation for 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene?
The canonical SMILES for 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene is C=CCCC(C(C)C)(C1C=CC=C1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene?
The InChIKey is OQLALFOXLDVLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-4-5-18-26(19(2)3,20-12-6-7-13-20)25-23-16-10-8-14-21(23)22-15-9-11-17-24(22)25/h4,6-17,19-20,25H,1,5,18H2,2-3H3.
What are the key properties of 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene?
9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene has a molecular weight of 340.51 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-cyclopenta-2,4-dien-1-yl-2-methylhept-6-en-3-yl)-9H-fluorene is sourced from PubChem (CID 159062487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).