5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene

C28H22 — CID 59146823

IUPAC5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
SMILESC(#Cc1ccc2c(c1)CCC2)c1ccc(C#Cc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C28H22/c1-3-25-17-15-23(19-27(25)5-1)13-11-21-7-9-22(10-8-21)12-14-24-16-18-26-4-2-6-28(26)20-24/h7-10,15-20H,1-6H2
InChIKeyJPUKUXKNHJTWGJ-UHFFFAOYSA-N
MW358.48 g/mol
LogP5.46
Rot. Bonds

About 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene

5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene (PubChem CID 59146823) has the molecular formula C28H22 and a molecular weight of 358.48 g/mol. Its IUPAC name is 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
PubChem CID59146823
Molecular FormulaC28H22
Molecular Weight358.48 g/mol
Exact Mass358.17
IUPAC Name5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
SMILESC(#Cc1ccc2c(c1)CCC2)c1ccc(C#Cc2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C28H22/c1-3-25-17-15-23(19-27(25)5-1)13-11-21-7-9-22(10-8-21)12-14-24-16-18-26-4-2-6-28(26)20-24/h7-10,15-20H,1-6H2
InChIKeyJPUKUXKNHJTWGJ-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene with MolForge

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Related Compounds

5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 143655916
6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene
CID 60800052
4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine
CID 116641482
ethyl 3-(2,3-dihydro-1H-inden-5-yl)prop-2-ynoate
CID 176935237
6-[2-(4-methylphenyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-one
CID 58073615
1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine
CID 106226262
4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
CID 82123165
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356
5-tert-butyl-2,3-dihydro-1H-indene
CID 15271758
7-prop-1-ynyl-1,2,3,4-tetrahydroisoquinoline
CID 70295509
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene
CID 20724148

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene (CID 59146823) is 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene is C(#Cc1ccc2c(c1)CCC2)c1ccc(C#Cc2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene?
The InChIKey is JPUKUXKNHJTWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22/c1-3-25-17-15-23(19-27(25)5-1)13-11-21-7-9-22(10-8-21)12-14-24-16-18-26-4-2-6-28(26)20-24/h7-10,15-20H,1-6H2.
What are the key properties of 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene?
5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene has a molecular weight of 358.48 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 59146823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).