9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C25H28 — CID 58673307

IUPAC9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCCCCCc1ccc2c(c1)CC(C1=CC=CC1)Cc1ccccc1-2
InChIInChI=1S/C25H28/c1-2-3-4-9-19-14-15-25-23(16-19)18-22(20-10-5-6-11-20)17-21-12-7-8-13-24(21)25/h5-8,10,12-16,22H,2-4,9,11,17-18H2,1H3
InChIKeyBQVJRCWINRCOIA-UHFFFAOYSA-N
MW328.50 g/mol
LogP6.69
Rot. Bonds5

About 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 58673307) has the molecular formula C25H28 and a molecular weight of 328.50 g/mol. Its IUPAC name is 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID58673307
Molecular FormulaC25H28
Molecular Weight328.50 g/mol
Exact Mass328.22
IUPAC Name9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCCCCCc1ccc2c(c1)CC(C1=CC=CC1)Cc1ccccc1-2
InChIInChI=1S/C25H28/c1-2-3-4-9-19-14-15-25-23(16-19)18-22(20-10-5-6-11-20)17-21-12-7-8-13-24(21)25/h5-8,10,12-16,22H,2-4,9,11,17-18H2,1H3
InChIKeyBQVJRCWINRCOIA-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.50
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene with MolForge

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

Launch Full Analysis

Related Compounds

9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58674129
2-decyl-9H-fluorene
CID 21095311
2-hexyl-9H-fluorene
CID 2801684
5-butyl-9-[4-(4-prop-1-en-2-ylphenyl)cyclopenta-1,3-dien-1-yl]tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58674062
5-butyl-9-(2-ethylnaphthalen-1-yl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58673484
9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58673439
3-tricosyl-9H-fluorene
CID 141426174
3-hexyl-9H-fluorene
CID 141425158
3-docosyl-9H-fluorene
CID 141425169
5-butyl-9-(4,6-dimethylcyclohex-3-en-1-yl)tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58674185
2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene
CID 71446326
9H-fluorene;nonylbenzene
CID 161236553

Frequently Asked Questions

What is the IUPAC name of 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 58673307) is 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is CCCCCc1ccc2c(c1)CC(C1=CC=CC1)Cc1ccccc1-2.
What is the InChIKey of 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is BQVJRCWINRCOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28/c1-2-3-4-9-19-14-15-25-23(16-19)18-22(20-10-5-6-11-20)17-21-12-7-8-13-24(21)25/h5-8,10,12-16,22H,2-4,9,11,17-18H2,1H3.
What are the key properties of 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 328.50 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopenta-1,3-dien-1-yl-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 58673307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).