4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene

C32H32O — CID 70014688

IUPAC4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene
SMILESCCCC(OC(C)C)c1ccc(-c2ccccc2)c2c1Cc1cccc(-c3ccccc3)c1-2
InChIInChI=1S/C32H32O/c1-4-12-30(33-22(2)3)28-20-19-27(24-15-9-6-10-16-24)32-29(28)21-25-17-11-18-26(31(25)32)23-13-7-5-8-14-23/h5-11,13-20,22,30H,4,12,21H2,1-3H3
InChIKeyZAVZAURUBAZZQQ-UHFFFAOYSA-N
MW432.61 g/mol
LogP8.86
Rot. Bonds7

About 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene

4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene (PubChem CID 70014688) has the molecular formula C32H32O and a molecular weight of 432.61 g/mol. Its IUPAC name is 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene.

Molecular Properties

Compound Name4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene
PubChem CID70014688
Molecular FormulaC32H32O
Molecular Weight432.61 g/mol
Exact Mass432.25
IUPAC Name4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene
SMILESCCCC(OC(C)C)c1ccc(-c2ccccc2)c2c1Cc1cccc(-c3ccccc3)c1-2
InChIInChI=1S/C32H32O/c1-4-12-30(33-22(2)3)28-20-19-27(24-15-9-6-10-16-24)32-29(28)21-25-17-11-18-26(31(25)32)23-13-7-5-8-14-23/h5-11,13-20,22,30H,4,12,21H2,1-3H3
InChIKeyZAVZAURUBAZZQQ-UHFFFAOYSA-N
XLogP8.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene 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 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene?
The IUPAC name of 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene (CID 70014688) is 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene.
What is the SMILES notation for 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene?
The canonical SMILES for 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene is CCCC(OC(C)C)c1ccc(-c2ccccc2)c2c1Cc1cccc(-c3ccccc3)c1-2.
What is the InChIKey of 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene?
The InChIKey is ZAVZAURUBAZZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O/c1-4-12-30(33-22(2)3)28-20-19-27(24-15-9-6-10-16-24)32-29(28)21-25-17-11-18-26(31(25)32)23-13-7-5-8-14-23/h5-11,13-20,22,30H,4,12,21H2,1-3H3.
What are the key properties of 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene?
4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene has a molecular weight of 432.61 g/mol, XLogP of 8.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-1-(1-propan-2-yloxybutyl)-9H-fluorene is sourced from PubChem (CID 70014688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).