9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene

C26H28 — CID 23282038

IUPAC9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C1=CC2=C(CCCCC2)C1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H28/c1-26(2,20-16-18-10-4-3-5-11-19(18)17-20)25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h6-9,12-16,25H,3-5,10-11,17H2,1-2H3
InChIKeyKWNOZIRUIYRRTN-UHFFFAOYSA-N
MW340.51 g/mol
LogP7.42
Rot. Bonds2

About 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene

9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene (PubChem CID 23282038) has the molecular formula C26H28 and a molecular weight of 340.51 g/mol. Its IUPAC name is 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene.

Molecular Properties

Compound Name9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene
PubChem CID23282038
Molecular FormulaC26H28
Molecular Weight340.51 g/mol
Exact Mass340.22
IUPAC Name9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene
SMILESCC(C)(C1=CC2=C(CCCCC2)C1)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C26H28/c1-26(2,20-16-18-10-4-3-5-11-19(18)17-20)25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h6-9,12-16,25H,3-5,10-11,17H2,1-2H3
InChIKeyKWNOZIRUIYRRTN-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene?
The IUPAC name of 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene (CID 23282038) is 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene.
What is the SMILES notation for 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene?
The canonical SMILES for 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene is CC(C)(C1=CC2=C(CCCCC2)C1)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene?
The InChIKey is KWNOZIRUIYRRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28/c1-26(2,20-16-18-10-4-3-5-11-19(18)17-20)25-23-14-8-6-12-21(23)22-13-7-9-15-24(22)25/h6-9,12-16,25H,3-5,10-11,17H2,1-2H3.
What are the key properties of 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene?
9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene has a molecular weight of 340.51 g/mol, XLogP of 7.42, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(1,4,5,6,7,8-hexahydroazulen-2-yl)propan-2-yl]-9H-fluorene is sourced from PubChem (CID 23282038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).