9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene

C25H26 — CID 140872855

IUPAC9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C1c2ccccc2-c2ccccc21)C1CCC2C=CC=CC21
InChIInChI=1S/C25H26/c1-25(2,23-16-15-17-9-3-4-10-18(17)23)24-21-13-7-5-11-19(21)20-12-6-8-14-22(20)24/h3-14,17-18,23-24H,15-16H2,1-2H3
InChIKeyVNYFZMYJDTUWHN-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.59
Rot. Bonds2

About 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene

9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene (PubChem CID 140872855) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene
PubChem CID140872855
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C1c2ccccc2-c2ccccc21)C1CCC2C=CC=CC21
InChIInChI=1S/C25H26/c1-25(2,23-16-15-17-9-3-4-10-18(17)23)24-21-13-7-5-11-19(21)20-12-6-8-14-22(20)24/h3-14,17-18,23-24H,15-16H2,1-2H3
InChIKeyVNYFZMYJDTUWHN-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene?
The IUPAC name of 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene (CID 140872855) is 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene.
What is the SMILES notation for 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene?
The canonical SMILES for 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene is CC(C)(C1c2ccccc2-c2ccccc21)C1CCC2C=CC=CC21.
What is the InChIKey of 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene?
The InChIKey is VNYFZMYJDTUWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-25(2,23-16-15-17-9-3-4-10-18(17)23)24-21-13-7-5-11-19(21)20-12-6-8-14-22(20)24/h3-14,17-18,23-24H,15-16H2,1-2H3.
What are the key properties of 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene?
9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene has a molecular weight of 326.48 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(2,3,3a,7a-tetrahydro-1H-inden-1-yl)propan-2-yl]-9H-fluorene is sourced from PubChem (CID 140872855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).