9-prop-2-enyl-9-tridec-2-enylfluorene

C29H38 — CID 91376717

IUPAC9-prop-2-enyl-9-tridec-2-enylfluorene
SMILESC=CCC1(CC=CCCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H38/c1-3-5-6-7-8-9-10-11-12-13-18-24-29(23-4-2)27-21-16-14-19-25(27)26-20-15-17-22-28(26)29/h4,13-22H,2-3,5-12,23-24H2,1H3
InChIKeySTIYIQRNJMJUQG-UHFFFAOYSA-N
MW386.62 g/mol
LogP9.01
Rot. Bonds13

About 9-prop-2-enyl-9-tridec-2-enylfluorene

9-prop-2-enyl-9-tridec-2-enylfluorene (PubChem CID 91376717) has the molecular formula C29H38 and a molecular weight of 386.62 g/mol. Its IUPAC name is 9-prop-2-enyl-9-tridec-2-enylfluorene.

Molecular Properties

Compound Name9-prop-2-enyl-9-tridec-2-enylfluorene
PubChem CID91376717
Molecular FormulaC29H38
Molecular Weight386.62 g/mol
Exact Mass386.30
IUPAC Name9-prop-2-enyl-9-tridec-2-enylfluorene
SMILESC=CCC1(CC=CCCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H38/c1-3-5-6-7-8-9-10-11-12-13-18-24-29(23-4-2)27-21-16-14-19-25(27)26-20-15-17-22-28(26)29/h4,13-22H,2-3,5-12,23-24H2,1H3
InChIKeySTIYIQRNJMJUQG-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.62
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-prop-2-enyl-9-tridec-2-enylfluorene 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-prop-2-enyl-9-undec-2-enylfluorene
CID 91593860
4-[(E)-dodec-2-enyl]-1,2-diphenyl-4-prop-2-enylpyrazolidine-3,5-dione
CID 67259837
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
2,2-dimethyl-5-[(E)-non-2-enyl]-5-prop-2-enyl-1,3-dioxane-4,6-dione
CID 141165841
9-prop-2-enyl-9-tridecan-2-ylfluorene
CID 91582578
(4Z)-dodeca-1,4-diene
CID 12525542
9,9,18,18,27,27-hexakis(prop-2-enyl)heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 11628484
pentacosa-1,16-diene
CID 57082437
pentaconta-1,25-diene
CID 90941740
triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289

Frequently Asked Questions

What is the IUPAC name of 9-prop-2-enyl-9-tridec-2-enylfluorene?
The IUPAC name of 9-prop-2-enyl-9-tridec-2-enylfluorene (CID 91376717) is 9-prop-2-enyl-9-tridec-2-enylfluorene.
What is the SMILES notation for 9-prop-2-enyl-9-tridec-2-enylfluorene?
The canonical SMILES for 9-prop-2-enyl-9-tridec-2-enylfluorene is C=CCC1(CC=CCCCCCCCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-prop-2-enyl-9-tridec-2-enylfluorene?
The InChIKey is STIYIQRNJMJUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38/c1-3-5-6-7-8-9-10-11-12-13-18-24-29(23-4-2)27-21-16-14-19-25(27)26-20-15-17-22-28(26)29/h4,13-22H,2-3,5-12,23-24H2,1H3.
What are the key properties of 9-prop-2-enyl-9-tridec-2-enylfluorene?
9-prop-2-enyl-9-tridec-2-enylfluorene has a molecular weight of 386.62 g/mol, XLogP of 9.01, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-prop-2-enyl-9-tridec-2-enylfluorene is sourced from PubChem (CID 91376717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).