2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene

C37H52 — CID 139962852

IUPAC2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene
SMILESCCCCCCC1=C(CC)C(C(C)(C)C2C(CC)=C(CCCCCC)c3ccccc32)c2ccccc21
InChIInChI=1S/C37H52/c1-7-11-13-15-21-29-27(9-3)35(33-25-19-17-23-31(29)33)37(5,6)36-28(10-4)30(22-16-14-12-8-2)32-24-18-20-26-34(32)36/h17-20,23-26,35-36H,7-16,21-22H2,1-6H3
InChIKeyOXQIDYLHNNYQKS-UHFFFAOYSA-N
MW496.82 g/mol
LogP11.88
Rot. Bonds14

About 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene

2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene (PubChem CID 139962852) has the molecular formula C37H52 and a molecular weight of 496.82 g/mol. Its IUPAC name is 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene.

Molecular Properties

Compound Name2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene
PubChem CID139962852
Molecular FormulaC37H52
Molecular Weight496.82 g/mol
Exact Mass496.41
IUPAC Name2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene
SMILESCCCCCCC1=C(CC)C(C(C)(C)C2C(CC)=C(CCCCCC)c3ccccc32)c2ccccc21
InChIInChI=1S/C37H52/c1-7-11-13-15-21-29-27(9-3)35(33-25-19-17-23-31(29)33)37(5,6)36-28(10-4)30(22-16-14-12-8-2)32-24-18-20-26-34(32)36/h17-20,23-26,35-36H,7-16,21-22H2,1-6H3
InChIKeyOXQIDYLHNNYQKS-UHFFFAOYSA-N
XLogP11.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.82
LogP ≤ 511.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene with MolForge

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Related Compounds

2-pentyl-1-[2-(2-pentyl-3-propyl-1H-inden-1-yl)propan-2-yl]-3-propyl-1H-indene
CID 139962779
2-pentyl-1-[2-(2-pentyl-1H-inden-1-yl)propan-2-yl]-1H-indene
CID 139962800
9-[2-(9H-fluoren-9-yl)propan-2-yl]-9H-fluorene
CID 22619280
9-nonyl-9H-fluorene
CID 22568532
5,10-dihexylindeno[2,1-a]indene
CID 139044126
1,3-didodecyl-1H-indene
CID 177256728
butyl-dodecyl-[5-(3-heptyl-2-naphthalen-1-yl-1H-inden-1-yl)pentyl]phosphane
CID 90901705
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene?
The IUPAC name of 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene (CID 139962852) is 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene.
What is the SMILES notation for 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene?
The canonical SMILES for 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene is CCCCCCC1=C(CC)C(C(C)(C)C2C(CC)=C(CCCCCC)c3ccccc32)c2ccccc21.
What is the InChIKey of 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene?
The InChIKey is OXQIDYLHNNYQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H52/c1-7-11-13-15-21-29-27(9-3)35(33-25-19-17-23-31(29)33)37(5,6)36-28(10-4)30(22-16-14-12-8-2)32-24-18-20-26-34(32)36/h17-20,23-26,35-36H,7-16,21-22H2,1-6H3.
What are the key properties of 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene?
2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene has a molecular weight of 496.82 g/mol, XLogP of 11.88, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[2-(2-ethyl-3-hexyl-1H-inden-1-yl)propan-2-yl]-3-hexyl-1H-indene is sourced from PubChem (CID 139962852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).