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

C28H32 — CID 58674129

IUPAC9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCCCCCc1ccc2c(c1)CC(c1cccc(CC)c1)Cc1ccccc1-2
InChIInChI=1S/C28H32/c1-3-5-6-10-22-15-16-28-26(18-22)20-25(19-24-12-7-8-14-27(24)28)23-13-9-11-21(4-2)17-23/h7-9,11-18,25H,3-6,10,19-20H2,1-2H3
InChIKeyDNVKOQRFFRUDNE-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.53
Rot. Bonds6

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

9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 58674129) has the molecular formula C28H32 and a molecular weight of 368.56 g/mol. Its IUPAC name is 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID58674129
Molecular FormulaC28H32
Molecular Weight368.56 g/mol
Exact Mass368.25
IUPAC Name9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCCCCCc1ccc2c(c1)CC(c1cccc(CC)c1)Cc1ccccc1-2
InChIInChI=1S/C28H32/c1-3-5-6-10-22-15-16-28-26(18-22)20-25(19-24-12-7-8-14-27(24)28)23-13-9-11-21(4-2)17-23/h7-9,11-18,25H,3-6,10,19-20H2,1-2H3
InChIKeyDNVKOQRFFRUDNE-UHFFFAOYSA-N
XLogP7.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58673439
2-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
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
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
9H-fluorene;nonylbenzene
CID 161236553
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
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975

Frequently Asked Questions

What is the IUPAC name of 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 58674129) is 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is CCCCCc1ccc2c(c1)CC(c1cccc(CC)c1)Cc1ccccc1-2.
What is the InChIKey of 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is DNVKOQRFFRUDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32/c1-3-5-6-10-22-15-16-28-26(18-22)20-25(19-24-12-7-8-14-27(24)28)23-13-9-11-21(4-2)17-23/h7-9,11-18,25H,3-6,10,19-20H2,1-2H3.
What are the key properties of 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 368.56 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 58674129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).