5-[2-(1H-inden-5-yl)ethynyl]-1H-indene

C20H14 — CID 123225613

IUPAC5-[2-(1H-inden-5-yl)ethynyl]-1H-indene
SMILESC(#Cc1ccc2c(c1)C=CC2)c1ccc2c(c1)C=CC2
InChIInChI=1S/C20H14/c1-3-17-11-9-15(13-19(17)5-1)7-8-16-10-12-18-4-2-6-20(18)14-16/h1-2,5-6,9-14H,3-4H2
InChIKeyUQKXCQHMJDIDQX-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.22
Rot. Bonds

About 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene

5-[2-(1H-inden-5-yl)ethynyl]-1H-indene (PubChem CID 123225613) has the molecular formula C20H14 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene.

Molecular Properties

Compound Name5-[2-(1H-inden-5-yl)ethynyl]-1H-indene
PubChem CID123225613
Molecular FormulaC20H14
Molecular Weight254.33 g/mol
Exact Mass254.11
IUPAC Name5-[2-(1H-inden-5-yl)ethynyl]-1H-indene
SMILESC(#Cc1ccc2c(c1)C=CC2)c1ccc2c(c1)C=CC2
InChIInChI=1S/C20H14/c1-3-17-11-9-15(13-19(17)5-1)7-8-16-10-12-18-4-2-6-20(18)14-16/h1-2,5-6,9-14H,3-4H2
InChIKeyUQKXCQHMJDIDQX-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene?
The IUPAC name of 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene (CID 123225613) is 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene.
What is the SMILES notation for 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene?
The canonical SMILES for 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene is C(#Cc1ccc2c(c1)C=CC2)c1ccc2c(c1)C=CC2.
What is the InChIKey of 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene?
The InChIKey is UQKXCQHMJDIDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14/c1-3-17-11-9-15(13-19(17)5-1)7-8-16-10-12-18-4-2-6-20(18)14-16/h1-2,5-6,9-14H,3-4H2.
What are the key properties of 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene?
5-[2-(1H-inden-5-yl)ethynyl]-1H-indene has a molecular weight of 254.33 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1H-inden-5-yl)ethynyl]-1H-indene is sourced from PubChem (CID 123225613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).