4,5-dicyclohexyl-1H-indene

C21H28 — CID 173356994

IUPAC4,5-dicyclohexyl-1H-indene
SMILESC1=Cc2c(ccc(C3CCCCC3)c2C2CCCCC2)C1
InChIInChI=1S/C21H28/c1-3-8-16(9-4-1)20-15-14-17-12-7-13-19(17)21(20)18-10-5-2-6-11-18/h7,13-16,18H,1-6,8-12H2
InChIKeyJRGNCQNVCSVXKH-UHFFFAOYSA-N
MW280.45 g/mol
LogP6.35
Rot. Bonds2

About 4,5-dicyclohexyl-1H-indene

4,5-dicyclohexyl-1H-indene (PubChem CID 173356994) has the molecular formula C21H28 and a molecular weight of 280.45 g/mol. Its IUPAC name is 4,5-dicyclohexyl-1H-indene.

Molecular Properties

Compound Name4,5-dicyclohexyl-1H-indene
PubChem CID173356994
Molecular FormulaC21H28
Molecular Weight280.45 g/mol
Exact Mass280.22
IUPAC Name4,5-dicyclohexyl-1H-indene
SMILESC1=Cc2c(ccc(C3CCCCC3)c2C2CCCCC2)C1
InChIInChI=1S/C21H28/c1-3-8-16(9-4-1)20-15-14-17-12-7-13-19(17)21(20)18-10-5-2-6-11-18/h7,13-16,18H,1-6,8-12H2
InChIKeyJRGNCQNVCSVXKH-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.45
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,5-dicyclohexyl-1H-indene?
The IUPAC name of 4,5-dicyclohexyl-1H-indene (CID 173356994) is 4,5-dicyclohexyl-1H-indene.
What is the SMILES notation for 4,5-dicyclohexyl-1H-indene?
The canonical SMILES for 4,5-dicyclohexyl-1H-indene is C1=Cc2c(ccc(C3CCCCC3)c2C2CCCCC2)C1.
What is the InChIKey of 4,5-dicyclohexyl-1H-indene?
The InChIKey is JRGNCQNVCSVXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28/c1-3-8-16(9-4-1)20-15-14-17-12-7-13-19(17)21(20)18-10-5-2-6-11-18/h7,13-16,18H,1-6,8-12H2.
What are the key properties of 4,5-dicyclohexyl-1H-indene?
4,5-dicyclohexyl-1H-indene has a molecular weight of 280.45 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyclohexyl-1H-indene is sourced from PubChem (CID 173356994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).