2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene

C24H24 — CID 23105539

IUPAC2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene
SMILESCCCC(C)C1=Cc2c(cccc2-c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H24/c1-3-7-17(2)22-15-20-10-6-11-23(24(20)16-22)21-13-12-18-8-4-5-9-19(18)14-21/h4-6,8-14,16-17H,3,7,15H2,1-2H3
InChIKeyWXZIJQDVDXMGRO-UHFFFAOYSA-N
MW312.46 g/mol
LogP6.88
Rot. Bonds4

About 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene

2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene (PubChem CID 23105539) has the molecular formula C24H24 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene.

Molecular Properties

Compound Name2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene
PubChem CID23105539
Molecular FormulaC24H24
Molecular Weight312.46 g/mol
Exact Mass312.19
IUPAC Name2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene
SMILESCCCC(C)C1=Cc2c(cccc2-c2ccc3ccccc3c2)C1
InChIInChI=1S/C24H24/c1-3-7-17(2)22-15-20-10-6-11-23(24(20)16-22)21-13-12-18-8-4-5-9-19(18)14-21/h4-6,8-14,16-17H,3,7,15H2,1-2H3
InChIKeyWXZIJQDVDXMGRO-UHFFFAOYSA-N
XLogP6.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.46
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene?
The IUPAC name of 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene (CID 23105539) is 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene.
What is the SMILES notation for 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene?
The canonical SMILES for 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene is CCCC(C)C1=Cc2c(cccc2-c2ccc3ccccc3c2)C1.
What is the InChIKey of 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene?
The InChIKey is WXZIJQDVDXMGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24/c1-3-7-17(2)22-15-20-10-6-11-23(24(20)16-22)21-13-12-18-8-4-5-9-19(18)14-21/h4-6,8-14,16-17H,3,7,15H2,1-2H3.
What are the key properties of 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene?
2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene has a molecular weight of 312.46 g/mol, XLogP of 6.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pentan-2-yl-1H-inden-4-yl)naphthalene is sourced from PubChem (CID 23105539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).