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

C45H60Li2+2 — CID 162282370

IUPACdilithium;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
SMILESC1CCC2CCCC2C1.CC(CC1=CCc2ccccc21)c1ccccc1.CC(CC1CCC2CCCCC21)c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C18H26.C18H18.C9H16.2Li/c2*1-14(15-7-3-2-4-8-15)13-17-12-11-16-9-5-6-10-18(16)17;1-2-5-9-7-3-6-8(9)4-1;;/h2-4,7-8,14,16-18H,5-6,9-13H2,1H3;2-10,12,14H,11,13H2,1H3;8-9H,1-7H2;;/q;;;2*+1
InChIKeyDLSGQPDPVDLNQE-UHFFFAOYSA-N
MW614.86 g/mol
LogP7.20
Rot. Bonds6

About 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

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 (PubChem CID 162282370) has the molecular formula C45H60Li2+2 and a molecular weight of 614.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedilithium;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
PubChem CID162282370
Molecular FormulaC45H60Li2+2
Molecular Weight614.86 g/mol
Exact Mass614.50
IUPAC Namedilithium;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
SMILESC1CCC2CCCC2C1.CC(CC1=CCc2ccccc21)c1ccccc1.CC(CC1CCC2CCCCC21)c1ccccc1.[Li+].[Li+]
InChIInChI=1S/C18H26.C18H18.C9H16.2Li/c2*1-14(15-7-3-2-4-8-15)13-17-12-11-16-9-5-6-10-18(16)17;1-2-5-9-7-3-6-8(9)4-1;;/h2-4,7-8,14,16-18H,5-6,9-13H2,1H3;2-10,12,14H,11,13H2,1H3;8-9H,1-7H2;;/q;;;2*+1
InChIKeyDLSGQPDPVDLNQE-UHFFFAOYSA-N
XLogP7.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.86
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 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

3-(2-bromopropyl)-1H-indene
CID 23559641
3-[(2S,5S)-6-fluoro-2,5-dimethylhexyl]-1H-indene
CID 157089800
1-cyclopentyl-2-(2-methylpropyl)cyclopentane
CID 57306943
[(2S)-1-cyclopropylpropan-2-yl]benzene
CID 169109278
1-[4-[4-[2-(4-ethoxycyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052683
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
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
1-[4-(4-ethoxycyclohexyl)cyclohexyl]-4-(2-phenylpropyl)benzene
CID 21052580
N-(3-phenylbutyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 63463227
1-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]propan-2-ylbenzene
CID 21052654
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,4-bis(2-phenylpropyl)benzene
CID 19376086

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCC2CCCC2C1.CC(CC1=CCc2ccccc21)c1ccccc1.CC(CC1CCC2CCCCC21)c1ccccc1.[Li+].[Li+].
What is the InChIKey of 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?
The InChIKey is DLSGQPDPVDLNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26.C18H18.C9H16.2Li/c2*1-14(15-7-3-2-4-8-15)13-17-12-11-16-9-5-6-10-18(16)17;1-2-5-9-7-3-6-8(9)4-1;;/h2-4,7-8,14,16-18H,5-6,9-13H2,1H3;2-10,12,14H,11,13H2,1H3;8-9H,1-7H2;;/q;;;2*+1.
What are the key properties of 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?
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 has a molecular weight of 614.86 g/mol, XLogP of 7.20, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162282370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).