1-(2,6-dimethylphenyl)-3-phenylindazole

C21H18N2 — CID 59661510

IUPAC1-(2,6-dimethylphenyl)-3-phenylindazole
SMILESCc1cccc(C)c1-n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C21H18N2/c1-15-9-8-10-16(2)21(15)23-19-14-7-6-13-18(19)20(22-23)17-11-4-3-5-12-17/h3-14H,1-2H3
InChIKeyXJHQBYVFAUCAQN-UHFFFAOYSA-N
MW298.39 g/mol
LogP5.31
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-3-phenylindazole

1-(2,6-dimethylphenyl)-3-phenylindazole (PubChem CID 59661510) has the molecular formula C21H18N2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-phenylindazole.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-phenylindazole
PubChem CID59661510
Molecular FormulaC21H18N2
Molecular Weight298.39 g/mol
Exact Mass298.15
IUPAC Name1-(2,6-dimethylphenyl)-3-phenylindazole
SMILESCc1cccc(C)c1-n1nc(-c2ccccc2)c2ccccc21
InChIInChI=1S/C21H18N2/c1-15-9-8-10-16(2)21(15)23-19-14-7-6-13-18(19)20(22-23)17-11-4-3-5-12-17/h3-14H,1-2H3
InChIKeyXJHQBYVFAUCAQN-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole
CID 143732835
1-tert-butyl-3-phenylindazole
CID 59633775
3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
CID 102441291
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
1-(2,6-dimethylphenyl)-5-methyl-3-phenyl-1,2,4-triazole
CID 140601898
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
N,N-dimethyl-1-(3-phenylindazol-1-yl)ethanamine
CID 21494183
4,5-dimethyl-1,3-diphenylpyrazole
CID 13258584
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228
2-(2,6-dimethylphenyl)-4-[3-methyl-5-(1,3-oxazol-5-yl)phenyl]phthalazin-1-one
CID 151325595
1,3-bis[3-(trifluoromethyl)phenyl]indazole
CID 21044944
N,N-diethyl-2-(3-phenylindazol-1-yl)ethanamine
CID 12819473

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-phenylindazole?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-phenylindazole (CID 59661510) is 1-(2,6-dimethylphenyl)-3-phenylindazole.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-phenylindazole?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-phenylindazole is Cc1cccc(C)c1-n1nc(-c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-phenylindazole?
The InChIKey is XJHQBYVFAUCAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2/c1-15-9-8-10-16(2)21(15)23-19-14-7-6-13-18(19)20(22-23)17-11-4-3-5-12-17/h3-14H,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-phenylindazole?
1-(2,6-dimethylphenyl)-3-phenylindazole has a molecular weight of 298.39 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-phenylindazole is sourced from PubChem (CID 59661510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).