2,7-ditert-butyl-9H-fluorene-4-carbaldehyde

C22H26O — CID 87824712

IUPAC2,7-ditert-butyl-9H-fluorene-4-carbaldehyde
SMILESCC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)cc(C=O)c1-2
InChIInChI=1S/C22H26O/c1-21(2,3)17-7-8-19-14(10-17)9-15-11-18(22(4,5)6)12-16(13-23)20(15)19/h7-8,10-13H,9H2,1-6H3
InChIKeyVXDYVLOWESGYCY-UHFFFAOYSA-N
MW306.45 g/mol
LogP5.67
Rot. Bonds1

About 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde

2,7-ditert-butyl-9H-fluorene-4-carbaldehyde (PubChem CID 87824712) has the molecular formula C22H26O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde.

Molecular Properties

Compound Name2,7-ditert-butyl-9H-fluorene-4-carbaldehyde
PubChem CID87824712
Molecular FormulaC22H26O
Molecular Weight306.45 g/mol
Exact Mass306.20
IUPAC Name2,7-ditert-butyl-9H-fluorene-4-carbaldehyde
SMILESCC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)cc(C=O)c1-2
InChIInChI=1S/C22H26O/c1-21(2,3)17-7-8-19-14(10-17)9-15-11-18(22(4,5)6)12-16(13-23)20(15)19/h7-8,10-13H,9H2,1-6H3
InChIKeyVXDYVLOWESGYCY-UHFFFAOYSA-N
XLogP5.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde 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

5-tert-butyl-2-chlorobenzaldehyde
CID 50997855
2,6-ditert-butyl-9H-fluorene;dichlorotitanium
CID 174369876
5-tert-butyl-2-methylbenzene-1,3-dicarbaldehyde
CID 10965619
2-[7-(2-sulfanylpropan-2-yl)-9H-fluoren-2-yl]propane-2-thiol
CID 167021696
3-tert-butylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 15438926
6-tert-butyl-2,3-dimethylidene-1H-indene
CID 58981235
3,5-ditert-butyl-1H-indene
CID 20675508
4-tert-butyl-2-formylbenzoic acid
CID 170900961
(2E)-5-tert-butyl-2-hydroxyimino-3H-inden-1-one
CID 24777654
2,7,10-tritert-butyl-9H-acridine
CID 143619997
2,6-ditert-butyl-1,4-dihydronaphthalene
CID 10263787
5-tert-butyl-2-[22-(4-tert-butyl-2,6-diformylphenyl)-8,19-dimethyl-11-hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2,4,6,8,10,12(24),13,15,17,19,21-dodecaenyl]benzene-1,3-dicarbaldehyde
CID 132539606

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde?
The IUPAC name of 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde (CID 87824712) is 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde.
What is the SMILES notation for 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde?
The canonical SMILES for 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde is CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)cc(C=O)c1-2.
What is the InChIKey of 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde?
The InChIKey is VXDYVLOWESGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O/c1-21(2,3)17-7-8-19-14(10-17)9-15-11-18(22(4,5)6)12-16(13-23)20(15)19/h7-8,10-13H,9H2,1-6H3.
What are the key properties of 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde?
2,7-ditert-butyl-9H-fluorene-4-carbaldehyde has a molecular weight of 306.45 g/mol, XLogP of 5.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9H-fluorene-4-carbaldehyde is sourced from PubChem (CID 87824712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).