2-(1H-inden-5-yl)-9H-fluorene

C22H16 — CID 145186106

IUPAC2-(1H-inden-5-yl)-9H-fluorene
SMILESC1=Cc2cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc2C1
InChIInChI=1S/C22H16/c1-2-7-21-19(4-1)14-20-13-18(10-11-22(20)21)17-9-8-15-5-3-6-16(15)12-17/h1-4,6-13H,5,14H2
InChIKeyWTRJQRVHKBOWOS-UHFFFAOYSA-N
MW280.37 g/mol
LogP5.49
Rot. Bonds1

About 2-(1H-inden-5-yl)-9H-fluorene

2-(1H-inden-5-yl)-9H-fluorene (PubChem CID 145186106) has the molecular formula C22H16 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(1H-inden-5-yl)-9H-fluorene.

Molecular Properties

Compound Name2-(1H-inden-5-yl)-9H-fluorene
PubChem CID145186106
Molecular FormulaC22H16
Molecular Weight280.37 g/mol
Exact Mass280.13
IUPAC Name2-(1H-inden-5-yl)-9H-fluorene
SMILESC1=Cc2cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc2C1
InChIInChI=1S/C22H16/c1-2-7-21-19(4-1)14-20-13-18(10-11-22(20)21)17-9-8-15-5-3-6-16(15)12-17/h1-4,6-13H,5,14H2
InChIKeyWTRJQRVHKBOWOS-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-inden-5-yl)-9H-fluorene?
The IUPAC name of 2-(1H-inden-5-yl)-9H-fluorene (CID 145186106) is 2-(1H-inden-5-yl)-9H-fluorene.
What is the SMILES notation for 2-(1H-inden-5-yl)-9H-fluorene?
The canonical SMILES for 2-(1H-inden-5-yl)-9H-fluorene is C1=Cc2cc(-c3ccc4c(c3)Cc3ccccc3-4)ccc2C1.
What is the InChIKey of 2-(1H-inden-5-yl)-9H-fluorene?
The InChIKey is WTRJQRVHKBOWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16/c1-2-7-21-19(4-1)14-20-13-18(10-11-22(20)21)17-9-8-15-5-3-6-16(15)12-17/h1-4,6-13H,5,14H2.
What are the key properties of 2-(1H-inden-5-yl)-9H-fluorene?
2-(1H-inden-5-yl)-9H-fluorene has a molecular weight of 280.37 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-inden-5-yl)-9H-fluorene is sourced from PubChem (CID 145186106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).