9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C26H28 — CID 58673439

IUPAC9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCCCc1ccc2c(c1)CC(c1ccc(C)c(C)c1)Cc1ccccc1-2
InChIInChI=1S/C26H28/c1-4-7-20-11-13-26-24(15-20)17-23(16-22-8-5-6-9-25(22)26)21-12-10-18(2)19(3)14-21/h5-6,8-15,23H,4,7,16-17H2,1-3H3
InChIKeyKAORJTIHDICCGQ-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.81
Rot. Bonds3

About 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 58673439) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID58673439
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCCCc1ccc2c(c1)CC(c1ccc(C)c(C)c1)Cc1ccccc1-2
InChIInChI=1S/C26H28/c1-4-7-20-11-13-26-24(15-20)17-23(16-22-8-5-6-9-25(22)26)21-12-10-18(2)19(3)14-21/h5-6,8-15,23H,4,7,16-17H2,1-3H3
InChIKeyKAORJTIHDICCGQ-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-(3-ethylphenyl)-5-pentyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
CID 58674129
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
2,7-dipropyl-9,10-dihydrophenanthrene
CID 159085021
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
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-hexyl-9H-fluorene
CID 2801684
2-decyl-9H-fluorene
CID 21095311
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
2-propylanthracene-9,10-dione
CID 22643716
2-(9H-fluoren-1-yl)-4-propylphenol
CID 151190186
5-propyl-3H-2-benzofuran-1-one
CID 123428472
3-propylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 59134563

Frequently Asked Questions

What is the IUPAC name of 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 58673439) is 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is CCCc1ccc2c(c1)CC(c1ccc(C)c(C)c1)Cc1ccccc1-2.
What is the InChIKey of 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is KAORJTIHDICCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-4-7-20-11-13-26-24(15-20)17-23(16-22-8-5-6-9-25(22)26)21-12-10-18(2)19(3)14-21/h5-6,8-15,23H,4,7,16-17H2,1-3H3.
What are the key properties of 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 340.51 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-dimethylphenyl)-5-propyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 58673439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).