3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole

C21H15Cl3N2 — CID 57380004

IUPAC3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole
SMILESClc1cc(Cl)c(-n2nc(CCc3ccccc3)c3ccccc32)c(Cl)c1
InChIInChI=1S/C21H15Cl3N2/c22-15-12-17(23)21(18(24)13-15)26-20-9-5-4-8-16(20)19(25-26)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2
InChIKeyRXDOBKBGDSYBDS-UHFFFAOYSA-N
MW401.72 g/mol
LogP6.77
Rot. Bonds4

About 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole

3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole (PubChem CID 57380004) has the molecular formula C21H15Cl3N2 and a molecular weight of 401.72 g/mol. Its IUPAC name is 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole.

Molecular Properties

Compound Name3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole
PubChem CID57380004
Molecular FormulaC21H15Cl3N2
Molecular Weight401.72 g/mol
Exact Mass400.03
IUPAC Name3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole
SMILESClc1cc(Cl)c(-n2nc(CCc3ccccc3)c3ccccc32)c(Cl)c1
InChIInChI=1S/C21H15Cl3N2/c22-15-12-17(23)21(18(24)13-15)26-20-9-5-4-8-16(20)19(25-26)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2
InChIKeyRXDOBKBGDSYBDS-UHFFFAOYSA-N
XLogP6.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.72
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-1-(4-chlorophenyl)indazole
CID 69193240
[1-(4-chlorophenyl)indazol-3-yl]methanol
CID 69192463
1-phenyl-3-(2-phenylethyl)benzo[g]indazol-5-ol
CID 165147895
3-pentyl-1-pyridin-4-ylindazole
CID 67816303
3-(1-benzylindazol-3-yl)propanal
CID 167222160
7-chloro-1-(2-phenylethyl)pyrrolo[1,2-a]pyrazine
CID 15662063
4,5-bis(2,4-dichlorophenyl)-N-(2-phenylethyl)triazole-2-carboxamide
CID 59363153
3-(chloromethyl)-1-pyrimidin-2-ylindazole
CID 89060434
benzene;2-phenylethylbenzene
CID 18982764
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole?
The IUPAC name of 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole (CID 57380004) is 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole.
What is the SMILES notation for 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole?
The canonical SMILES for 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole is Clc1cc(Cl)c(-n2nc(CCc3ccccc3)c3ccccc32)c(Cl)c1.
What is the InChIKey of 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole?
The InChIKey is RXDOBKBGDSYBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2/c22-15-12-17(23)21(18(24)13-15)26-20-9-5-4-8-16(20)19(25-26)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2.
What are the key properties of 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole?
3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole has a molecular weight of 401.72 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)-1-(2,4,6-trichlorophenyl)indazole is sourced from PubChem (CID 57380004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).