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

C31H26 — CID 143655916

IUPAC5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
SMILESC(#Cc1ccc(C#Cc2ccc3c(c2)CCC3)c(C2CC2)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C31H26/c1-3-25-13-9-22(19-29(25)5-1)7-8-24-12-16-27(31(21-24)28-17-18-28)15-11-23-10-14-26-4-2-6-30(26)20-23/h9-10,12-14,16,19-21,28H,1-6,17-18H2
InChIKeyWDPRRSAEKDGDPL-UHFFFAOYSA-N
MW398.55 g/mol
LogP6.34
Rot. Bonds1

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

5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene (PubChem CID 143655916) has the molecular formula C31H26 and a molecular weight of 398.55 g/mol. Its IUPAC name is 5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
PubChem CID143655916
Molecular FormulaC31H26
Molecular Weight398.55 g/mol
Exact Mass398.20
IUPAC Name5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
SMILESC(#Cc1ccc(C#Cc2ccc3c(c2)CCC3)c(C2CC2)c1)c1ccc2c(c1)CCC2
InChIInChI=1S/C31H26/c1-3-25-13-9-22(19-29(25)5-1)7-8-24-12-16-27(31(21-24)28-17-18-28)15-11-23-10-14-26-4-2-6-30(26)20-23/h9-10,12-14,16,19-21,28H,1-6,17-18H2
InChIKeyWDPRRSAEKDGDPL-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 59146823
6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene
CID 60800052
1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine
CID 106226262
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
5-(2-phenylethynyl)-2,3-dihydro-1H-inden-1-ol
CID 171432789
5-cyclopropyl-2,3-dihydro-1H-inden-4-amine
CID 162394390
2-(cyclohexyloxymethoxy)-6-(2-phenylethynyl)-1,2,3,4-tetrahydronaphthalene
CID 20724148
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272
6-[2-(4-methylphenyl)ethynyl]-3,4-dihydro-2H-naphthalen-1-one
CID 58073615
3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepine-7-carbonitrile
CID 67160773
N-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418118

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene?
The IUPAC name of 5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene (CID 143655916) is 5-[2-[2-cyclopropyl-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-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene is C(#Cc1ccc(C#Cc2ccc3c(c2)CCC3)c(C2CC2)c1)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene?
The InChIKey is WDPRRSAEKDGDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26/c1-3-25-13-9-22(19-29(25)5-1)7-8-24-12-16-27(31(21-24)28-17-18-28)15-11-23-10-14-26-4-2-6-30(26)20-23/h9-10,12-14,16,19-21,28H,1-6,17-18H2.
What are the key properties of 5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene?
5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene has a molecular weight of 398.55 g/mol, XLogP of 6.34, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 143655916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).