6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene

C25H22Cl2 — CID 173416531

IUPAC6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene
SMILESClc1cccc(Cl)c1-c1ccc2c(c1)CCC2c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H22Cl2/c26-23-6-3-7-24(27)25(23)20-11-13-22-19(15-20)10-12-21(22)18-9-8-16-4-1-2-5-17(16)14-18/h3,6-9,11,13-15,21H,1-2,4-5,10,12H2
InChIKeyGRDPWATZNKOIGG-UHFFFAOYSA-N
MW393.36 g/mol
LogP7.62
Rot. Bonds2

About 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene

6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 173416531) has the molecular formula C25H22Cl2 and a molecular weight of 393.36 g/mol. Its IUPAC name is 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene
PubChem CID173416531
Molecular FormulaC25H22Cl2
Molecular Weight393.36 g/mol
Exact Mass392.11
IUPAC Name6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene
SMILESClc1cccc(Cl)c1-c1ccc2c(c1)CCC2c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H22Cl2/c26-23-6-3-7-24(27)25(23)20-11-13-22-19(15-20)10-12-21(22)18-9-8-16-4-1-2-5-17(16)14-18/h3,6-9,11,13-15,21H,1-2,4-5,10,12H2
InChIKeyGRDPWATZNKOIGG-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.36
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene (CID 173416531) is 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene is Clc1cccc(Cl)c1-c1ccc2c(c1)CCC2c1ccc2c(c1)CCCC2.
What is the InChIKey of 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GRDPWATZNKOIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2/c26-23-6-3-7-24(27)25(23)20-11-13-22-19(15-20)10-12-21(22)18-9-8-16-4-1-2-5-17(16)14-18/h3,6-9,11,13-15,21H,1-2,4-5,10,12H2.
What are the key properties of 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene?
6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 393.36 g/mol, XLogP of 7.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(2,6-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 173416531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).