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

C35H34 — CID 18508584

IUPAC2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
SMILESCCCC(C1C(C)=Cc2c(-c3ccccc3)cccc21)C1C(CC)=Cc2c1ccc1ccccc21
InChIInChI=1S/C35H34/c1-4-12-31(35-24(5-2)22-33-27-16-10-9-15-26(27)19-20-30(33)35)34-23(3)21-32-28(17-11-18-29(32)34)25-13-7-6-8-14-25/h6-11,13-22,31,34-35H,4-5,12H2,1-3H3
InChIKeyJLUODWJNYYWWLN-UHFFFAOYSA-N
MW454.66 g/mol
LogP10.01
Rot. Bonds6

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

2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene (PubChem CID 18508584) has the molecular formula C35H34 and a molecular weight of 454.66 g/mol. Its IUPAC name is 2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
PubChem CID18508584
Molecular FormulaC35H34
Molecular Weight454.66 g/mol
Exact Mass454.27
IUPAC Name2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
SMILESCCCC(C1C(C)=Cc2c(-c3ccccc3)cccc21)C1C(CC)=Cc2c1ccc1ccccc21
InChIInChI=1S/C35H34/c1-4-12-31(35-24(5-2)22-33-27-16-10-9-15-26(27)19-20-30(33)35)34-23(3)21-32-28(17-11-18-29(32)34)25-13-7-6-8-14-25/h6-11,13-22,31,34-35H,4-5,12H2,1-3H3
InChIKeyJLUODWJNYYWWLN-UHFFFAOYSA-N
XLogP10.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.66
LogP ≤ 510.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-3-[1-(2-ethyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene
CID 18508485
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
dimethyl-bis[(1R)-2-methyl-4-phenyl-1H-inden-1-yl]silane
CID 101111754
1-[2-methyl-1-[2-(2-methyl-4-naphthalen-1-yl-1H-inden-1-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 22994948
CID 142750810
CID 142750810
N,N-diethyl-2-(2-methyl-4-phenyl-1H-inden-1-yl)aniline
CID 155667322
(2-ethyl-4-phenyl-1H-inden-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-1,3-dien-1-yl)silane
CID 140672926
dimethyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-yl)silane
CID 617108
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
CID 173305494
CID 173305494
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene?
The IUPAC name of 2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene (CID 18508584) is 2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene.
What is the SMILES notation for 2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene?
The canonical SMILES for 2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene is CCCC(C1C(C)=Cc2c(-c3ccccc3)cccc21)C1C(CC)=Cc2c1ccc1ccccc21.
What is the InChIKey of 2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene?
The InChIKey is JLUODWJNYYWWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34/c1-4-12-31(35-24(5-2)22-33-27-16-10-9-15-26(27)19-20-30(33)35)34-23(3)21-32-28(17-11-18-29(32)34)25-13-7-6-8-14-25/h6-11,13-22,31,34-35H,4-5,12H2,1-3H3.
What are the key properties of 2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene?
2-ethyl-3-[1-(2-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene has a molecular weight of 454.66 g/mol, XLogP of 10.01, 6 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-methyl-4-phenyl-1H-inden-1-yl)butyl]-3H-cyclopenta[a]naphthalene is sourced from PubChem (CID 18508584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).