2,7,9-Tripentylfluoren-9-ol

C28H40O — CID 175293843

IUPAC2,7,9-tripentylfluoren-9-ol
SMILESCCCCCC1=CC2=C(C=C1)C3=C(C2(CCCCC)O)C=C(C=C3)CCCCC
InChIInChI=1S/C28H40O/c1-4-7-10-13-22-15-17-24-25-18-16-23(14-11-8-5-2)21-27(25)28(29,26(24)20-22)19-12-9-6-3/h15-18,20-21,29H,4-14,19H2,1-3H3
InChIKeyAJYHYIVJXCTDDI-UHFFFAOYSA-N
MW392.60 g/mol
LogP9.40
Rot. Bonds12

About 2,7,9-Tripentylfluoren-9-ol

2,7,9-Tripentylfluoren-9-ol (PubChem CID 175293843) has the molecular formula C28H40O and a molecular weight of 392.60 g/mol. Its IUPAC name is 2,7,9-tripentylfluoren-9-ol.

Molecular Properties

Compound Name2,7,9-Tripentylfluoren-9-ol
PubChem CID175293843
Molecular FormulaC28H40O
Molecular Weight392.60 g/mol
Exact Mass392.31
IUPAC Name2,7,9-tripentylfluoren-9-ol
SMILESCCCCCC1=CC2=C(C=C1)C3=C(C2(CCCCC)O)C=C(C=C3)CCCCC
InChIInChI=1S/C28H40O/c1-4-7-10-13-22-15-17-24-25-18-16-23(14-11-8-5-2)21-27(25)28(29,26(24)20-22)19-12-9-6-3/h15-18,20-21,29H,4-14,19H2,1-3H3
InChIKeyAJYHYIVJXCTDDI-UHFFFAOYSA-N
XLogP9.40
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms29
Complexity423

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 59.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,7,9-Tripentylfluoren-9-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7,9-Tripentylfluoren-9-ol?
The IUPAC name of 2,7,9-Tripentylfluoren-9-ol (CID 175293843) is 2,7,9-tripentylfluoren-9-ol.
What is the SMILES notation for 2,7,9-Tripentylfluoren-9-ol?
The canonical SMILES for 2,7,9-Tripentylfluoren-9-ol is CCCCCC1=CC2=C(C=C1)C3=C(C2(CCCCC)O)C=C(C=C3)CCCCC.
What is the InChIKey of 2,7,9-Tripentylfluoren-9-ol?
The InChIKey is AJYHYIVJXCTDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O/c1-4-7-10-13-22-15-17-24-25-18-16-23(14-11-8-5-2)21-27(25)28(29,26(24)20-22)19-12-9-6-3/h15-18,20-21,29H,4-14,19H2,1-3H3.
What are the key properties of 2,7,9-Tripentylfluoren-9-ol?
2,7,9-Tripentylfluoren-9-ol has a molecular weight of 392.60 g/mol, XLogP of 9.40, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,9-Tripentylfluoren-9-ol is sourced from PubChem (CID 175293843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).