2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene

C36H36 — CID 18508485

IUPAC2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
SMILESCCCC(C1C(CC)=Cc2c(-c3ccccc3)cccc21)C1C(CC)=Cc2c1ccc1ccccc21
InChIInChI=1S/C36H36/c1-4-13-32(36-25(6-3)23-34-28-17-11-10-16-27(28)20-21-31(34)36)35-24(5-2)22-33-29(18-12-19-30(33)35)26-14-8-7-9-15-26/h7-12,14-23,32,35-36H,4-6,13H2,1-3H3
InChIKeyUPQNAXGMNKPODG-UHFFFAOYSA-N
MW468.68 g/mol
LogP10.40
Rot. Bonds7

About 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene

2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene (PubChem CID 18508485) has the molecular formula C36H36 and a molecular weight of 468.68 g/mol. Its IUPAC name is 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
PubChem CID18508485
Molecular FormulaC36H36
Molecular Weight468.68 g/mol
Exact Mass468.28
IUPAC Name2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
SMILESCCCC(C1C(CC)=Cc2c(-c3ccccc3)cccc21)C1C(CC)=Cc2c1ccc1ccccc21
InChIInChI=1S/C36H36/c1-4-13-32(36-25(6-3)23-34-28-17-11-10-16-27(28)20-21-31(34)36)35-24(5-2)22-33-29(18-12-19-30(33)35)26-14-8-7-9-15-26/h7-12,14-23,32,35-36H,4-6,13H2,1-3H3
InChIKeyUPQNAXGMNKPODG-UHFFFAOYSA-N
XLogP10.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.68
LogP ≤ 510.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
CID 18508584
4-(4-tert-butylphenyl)-1-[1-[4-(4-tert-butylphenyl)-2-ethyl-1H-inden-1-yl]propyl]-2-ethyl-1H-indene
CID 173239126
CID 18477473
CID 18477473
1-[1-[2-(4-naphthalen-1-yl-2-propyl-1H-inden-1-yl)propan-2-yl]-2-propyl-1H-inden-4-yl]naphthalene
CID 139962865
(2-ethyl-4-phenyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140672926
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
bis[2-ethyl-4-(4-propan-2-ylphenyl)-1H-inden-1-yl]-dimethylsilane
CID 22994891
2-(2-phenylphenyl)-1-propylnaphthalene
CID 173154100
9-[1-(9H-fluoren-9-yl)pentyl]-9H-fluorene
CID 19706049
3-(2-phenylphenyl)benzo[g][1]benzofuran
CID 176856254
1-[2-ethyl-3-[(2-ethyl-3-naphthalen-1-yl-1H-inden-1-yl)methyl]-3H-inden-1-yl]naphthalene
CID 18477492
CID 172998775
CID 172998775

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene?
The IUPAC name of 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene (CID 18508485) is 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene?
The canonical SMILES for 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene is CCCC(C1C(CC)=Cc2c(-c3ccccc3)cccc21)C1C(CC)=Cc2c1ccc1ccccc21.
What is the InChIKey of 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene?
The InChIKey is UPQNAXGMNKPODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36/c1-4-13-32(36-25(6-3)23-34-28-17-11-10-16-27(28)20-21-31(34)36)35-24(5-2)22-33-29(18-12-19-30(33)35)26-14-8-7-9-15-26/h7-12,14-23,32,35-36H,4-6,13H2,1-3H3.
What are the key properties of 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene?
2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene has a molecular weight of 468.68 g/mol, XLogP of 10.40, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene is sourced from PubChem (CID 18508485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).