5,10-dihexylindeno[2,1-a]indene

C28H34 — CID 139044126

IUPAC5,10-dihexylindeno[2,1-a]indene
SMILESCCCCCCC1=c2ccccc2=C2C(CCCCCC)=c3ccccc3=C12
InChIInChI=1S/C28H34/c1-3-5-7-9-17-23-21-15-11-13-19-25(21)28-24(18-10-8-6-4-2)22-16-12-14-20-26(22)27(23)28/h11-16,19-20H,3-10,17-18H2,1-2H3
InChIKeyBGGXKWUMLXUDPI-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.96
Rot. Bonds10

About 5,10-dihexylindeno[2,1-a]indene

5,10-dihexylindeno[2,1-a]indene (PubChem CID 139044126) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 5,10-dihexylindeno[2,1-a]indene.

Molecular Properties

Compound Name5,10-dihexylindeno[2,1-a]indene
PubChem CID139044126
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name5,10-dihexylindeno[2,1-a]indene
SMILESCCCCCCC1=c2ccccc2=C2C(CCCCCC)=c3ccccc3=C12
InChIInChI=1S/C28H34/c1-3-5-7-9-17-23-21-15-11-13-19-25(21)28-24(18-10-8-6-4-2)22-16-12-14-20-26(22)27(23)28/h11-16,19-20H,3-10,17-18H2,1-2H3
InChIKeyBGGXKWUMLXUDPI-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,10-dihexylindeno[2,1-a]indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
octacosylbenzene
CID 14228596
1,2-dihexylbenzene;hydrate
CID 172833093
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
octaoctacontylbenzene
CID 165359374
octylbenzene
CID 16607
azane;tetradecylbenzene
CID 70503489

Frequently Asked Questions

What is the IUPAC name of 5,10-dihexylindeno[2,1-a]indene?
The IUPAC name of 5,10-dihexylindeno[2,1-a]indene (CID 139044126) is 5,10-dihexylindeno[2,1-a]indene.
What is the SMILES notation for 5,10-dihexylindeno[2,1-a]indene?
The canonical SMILES for 5,10-dihexylindeno[2,1-a]indene is CCCCCCC1=c2ccccc2=C2C(CCCCCC)=c3ccccc3=C12.
What is the InChIKey of 5,10-dihexylindeno[2,1-a]indene?
The InChIKey is BGGXKWUMLXUDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-3-5-7-9-17-23-21-15-11-13-19-25(21)28-24(18-10-8-6-4-2)22-16-12-14-20-26(22)27(23)28/h11-16,19-20H,3-10,17-18H2,1-2H3.
What are the key properties of 5,10-dihexylindeno[2,1-a]indene?
5,10-dihexylindeno[2,1-a]indene has a molecular weight of 370.58 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dihexylindeno[2,1-a]indene is sourced from PubChem (CID 139044126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).