9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene

C30H28 — CID 18402444

IUPAC9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
SMILESC=CCCC(C1=CC=CC1)(c1ccccc1)C1c2ccccc2-c2c(C)cccc21
InChIInChI=1S/C30H28/c1-3-4-21-30(24-16-8-9-17-24,23-14-6-5-7-15-23)29-26-19-11-10-18-25(26)28-22(2)13-12-20-27(28)29/h3,5-16,18-20,29H,1,4,17,21H2,2H3
InChIKeyMENARYVNDIHPBJ-UHFFFAOYSA-N
MW388.55 g/mol
LogP7.90
Rot. Bonds6

About 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene

9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene (PubChem CID 18402444) has the molecular formula C30H28 and a molecular weight of 388.55 g/mol. Its IUPAC name is 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene.

Molecular Properties

Compound Name9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
PubChem CID18402444
Molecular FormulaC30H28
Molecular Weight388.55 g/mol
Exact Mass388.22
IUPAC Name9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene
SMILESC=CCCC(C1=CC=CC1)(c1ccccc1)C1c2ccccc2-c2c(C)cccc21
InChIInChI=1S/C30H28/c1-3-4-21-30(24-16-8-9-17-24,23-14-6-5-7-15-23)29-26-19-11-10-18-25(26)28-22(2)13-12-20-27(28)29/h3,5-16,18-20,29H,1,4,17,21H2,2H3
InChIKeyMENARYVNDIHPBJ-UHFFFAOYSA-N
XLogP7.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.55
LogP ≤ 57.90
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-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene;zirconium(2+);dichloride
CID 18402443
7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride
CID 19384790
9-(3-cyclopenta-1,3-dien-1-yl-3-methylbut-1-enyl)-9H-fluorene
CID 57275436
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
carbanide;1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium
CID 174706439
1-(4-cyclopenta-1,3-dien-1-yloct-7-en-4-yl)-9H-fluorene;hafnium;dichloride
CID 173223314
1,1-diphenylpent-4-en-1-amine
CID 102295553
9-(2-cyclopenta-1,3-dien-1-ylhexan-2-yl)-9H-fluorene;dihydrochloride
CID 174295322
9-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-2,7-diphenyl-9H-fluorene;zirconium
CID 173284031
9-(2-cyclopenta-2,4-dien-1-ylhex-5-en-2-yl)-9H-fluorene;titanium(2+);dichloride
CID 161408642
3-(4-methyl-9H-fluoren-9-yl)propanoic acid
CID 15045078

Frequently Asked Questions

What is the IUPAC name of 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene?
The IUPAC name of 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene (CID 18402444) is 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene.
What is the SMILES notation for 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene?
The canonical SMILES for 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene is C=CCCC(C1=CC=CC1)(c1ccccc1)C1c2ccccc2-c2c(C)cccc21.
What is the InChIKey of 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene?
The InChIKey is MENARYVNDIHPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28/c1-3-4-21-30(24-16-8-9-17-24,23-14-6-5-7-15-23)29-26-19-11-10-18-25(26)28-22(2)13-12-20-27(28)29/h3,5-16,18-20,29H,1,4,17,21H2,2H3.
What are the key properties of 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene?
9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene has a molecular weight of 388.55 g/mol, XLogP of 7.90, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-4-enyl)-4-methyl-9H-fluorene is sourced from PubChem (CID 18402444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).