2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene

C28H36 — CID 140773166

IUPAC2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene
SMILESCC(CCC1Cc2cccc(-c3ccccc3)c2C1)C1CCC2CCCCC21
InChIInChI=1S/C28H36/c1-20(25-17-16-23-10-5-6-12-26(23)25)14-15-21-18-24-11-7-13-27(28(24)19-21)22-8-3-2-4-9-22/h2-4,7-9,11,13,20-21,23,25-26H,5-6,10,12,14-19H2,1H3
InChIKeyKSXYEHVJHRNFCK-UHFFFAOYSA-N
MW372.60 g/mol
LogP7.70
Rot. Bonds5

About 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene

2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene (PubChem CID 140773166) has the molecular formula C28H36 and a molecular weight of 372.60 g/mol. Its IUPAC name is 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene
PubChem CID140773166
Molecular FormulaC28H36
Molecular Weight372.60 g/mol
Exact Mass372.28
IUPAC Name2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene
SMILESCC(CCC1Cc2cccc(-c3ccccc3)c2C1)C1CCC2CCCCC21
InChIInChI=1S/C28H36/c1-20(25-17-16-23-10-5-6-12-26(23)25)14-15-21-18-24-11-7-13-27(28(24)19-21)22-8-3-2-4-9-22/h2-4,7-9,11,13,20-21,23,25-26H,5-6,10,12,14-19H2,1H3
InChIKeyKSXYEHVJHRNFCK-UHFFFAOYSA-N
XLogP7.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)propan-2-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 15920170
2,3-dimethyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 3052881
dilithium;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1-(2-phenylpropyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;3-(2-phenylpropyl)-1H-indene
CID 162282370
8-phenyl-3-propyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 23344353
4-phenyl-2-propan-2-yl-2,3-dihydroinden-1-one
CID 22173366
6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 160878443
3-ethyl-2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
CID 23344298
2-cyclopentyl-4-phenyl-1H-indene
CID 23105549
[4-(1-aminoethyl)-2,3-dihydro-1H-inden-2-yl]methanol
CID 175179853
cumene;1-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;4-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;5-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;propan-2-ylcyclopentane
CID 162281103
[(2S)-5-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]-dipropylazanium chloride
CID 11186984
N-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-2-amine
CID 115906594

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene?
The IUPAC name of 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene (CID 140773166) is 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene?
The canonical SMILES for 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene is CC(CCC1Cc2cccc(-c3ccccc3)c2C1)C1CCC2CCCCC21.
What is the InChIKey of 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene?
The InChIKey is KSXYEHVJHRNFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36/c1-20(25-17-16-23-10-5-6-12-26(23)25)14-15-21-18-24-11-7-13-27(28(24)19-21)22-8-3-2-4-9-22/h2-4,7-9,11,13,20-21,23,25-26H,5-6,10,12,14-19H2,1H3.
What are the key properties of 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene?
2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene has a molecular weight of 372.60 g/mol, XLogP of 7.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl)butyl]-4-phenyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 140773166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).