9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene

C27H26 — CID 135489716

IUPAC9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene
SMILESCc1ccc(C)c2c1=CC(C)C=2CCC1=C2C=CC=CC2c2ccccc21
InChIInChI=1S/C27H26/c1-17-12-13-18(2)27-20(19(3)16-26(17)27)14-15-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-13,16,19,21H,14-15H2,1-3H3
InChIKeyZOWXVPKMKJDCTD-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.34
Rot. Bonds3

About 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene

9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene (PubChem CID 135489716) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene.

Molecular Properties

Compound Name9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene
PubChem CID135489716
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Name9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene
SMILESCc1ccc(C)c2c1=CC(C)C=2CCC1=C2C=CC=CC2c2ccccc21
InChIInChI=1S/C27H26/c1-17-12-13-18(2)27-20(19(3)16-26(17)27)14-15-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-13,16,19,21H,14-15H2,1-3H3
InChIKeyZOWXVPKMKJDCTD-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene 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-propan-2-yl-4aH-fluorene
CID 59892983
9-[2-[3-[2-(2-methylphenyl)propan-2-yl]-3H-inden-1-yl]ethyl]-8aH-fluorene
CID 139240365
9-[2-[3-(3-phenylpentan-3-yl)-3H-inden-1-yl]ethyl]-8aH-fluorene
CID 139240363
9-[3-(8aH-fluoren-9-yl)propyl]-9H-fluorene;zirconium(2+);dichloride
CID 173167014
ethyl 4-(4aH-fluoren-9-yl)benzoate
CID 67613234
2-(2,3-dimethyl-3H-inden-1-yl)ethanol
CID 19910541
8aH-fluoren-9-yl-but-3-enyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223344
10,19-dimethyltetracyclo[12.4.1.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 144660686
9-[1-(8aH-fluoren-9-yl)ethyl]-9H-fluorene;zirconium(2+);dichloride
CID 173217036
8aH-fluoren-9-yl-ethenyl-(9H-fluoren-9-yl)-methylsilane;titanium(2+);dichloride
CID 173223274
8aH-fluoren-9-yl-(9H-fluoren-9-yl)-methyl-prop-1-enylsilane;zirconium(2+);dichloride
CID 173310572
2-[(2,3-dimethyl-3H-inden-1-yl)methyl]pyridine
CID 143663893

Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene?
The IUPAC name of 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene (CID 135489716) is 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene.
What is the SMILES notation for 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene?
The canonical SMILES for 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene is Cc1ccc(C)c2c1=CC(C)C=2CCC1=C2C=CC=CC2c2ccccc21.
What is the InChIKey of 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene?
The InChIKey is ZOWXVPKMKJDCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26/c1-17-12-13-18(2)27-20(19(3)16-26(17)27)14-15-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-13,16,19,21H,14-15H2,1-3H3.
What are the key properties of 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene?
9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene has a molecular weight of 350.51 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,4,7-trimethyl-2H-inden-1-yl)ethyl]-4aH-fluorene is sourced from PubChem (CID 135489716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).