4,7-diphenyl-1H-indene

C21H16 — CID 14940861

IUPAC4,7-diphenyl-1H-indene
SMILESC1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1
InChIInChI=1S/C21H16/c1-3-8-16(9-4-1)18-14-15-19(17-10-5-2-6-11-17)21-13-7-12-20(18)21/h1-12,14-15H,13H2
InChIKeyAKHFVFALPIWERG-UHFFFAOYSA-N
MW268.36 g/mol
LogP5.59
Rot. Bonds2

About 4,7-diphenyl-1H-indene

4,7-diphenyl-1H-indene (PubChem CID 14940861) has the molecular formula C21H16 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4,7-diphenyl-1H-indene.

Molecular Properties

Compound Name4,7-diphenyl-1H-indene
PubChem CID14940861
Molecular FormulaC21H16
Molecular Weight268.36 g/mol
Exact Mass268.13
IUPAC Name4,7-diphenyl-1H-indene
SMILESC1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1
InChIInChI=1S/C21H16/c1-3-8-16(9-4-1)18-14-15-19(17-10-5-2-6-11-17)21-13-7-12-20(18)21/h1-12,14-15H,13H2
InChIKeyAKHFVFALPIWERG-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.36
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,7-diphenyl-1H-indene?
The IUPAC name of 4,7-diphenyl-1H-indene (CID 14940861) is 4,7-diphenyl-1H-indene.
What is the SMILES notation for 4,7-diphenyl-1H-indene?
The canonical SMILES for 4,7-diphenyl-1H-indene is C1=Cc2c(-c3ccccc3)ccc(-c3ccccc3)c2C1.
What is the InChIKey of 4,7-diphenyl-1H-indene?
The InChIKey is AKHFVFALPIWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16/c1-3-8-16(9-4-1)18-14-15-19(17-10-5-2-6-11-17)21-13-7-12-20(18)21/h1-12,14-15H,13H2.
What are the key properties of 4,7-diphenyl-1H-indene?
4,7-diphenyl-1H-indene has a molecular weight of 268.36 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1H-indene is sourced from PubChem (CID 14940861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).