bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)

C48H48N12 — CID 161168467

IUPACbis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)
SMILESCc1ccc2[nH]ncc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc2[nH]ncc12.Cc1cccc2[nH]ncc12
InChIInChI=1S/6C8H8N2/c2*1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-3-2-4-8-7(6)5-9-10-8/h6*2-5H,1H3,(H,9,10)
InChIKeyUQWFGAKVPSPRGJ-UHFFFAOYSA-N
MW793.00 g/mol
LogP11.23
Rot. Bonds

About bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)

bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole) (PubChem CID 161168467) has the molecular formula C48H48N12 and a molecular weight of 793.00 g/mol. Its IUPAC name is bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole).

Molecular Properties

Compound Namebis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)
PubChem CID161168467
Molecular FormulaC48H48N12
Molecular Weight793.00 g/mol
Exact Mass792.41
IUPAC Namebis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)
SMILESCc1ccc2[nH]ncc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc2[nH]ncc12.Cc1cccc2[nH]ncc12
InChIInChI=1S/6C8H8N2/c2*1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-3-2-4-8-7(6)5-9-10-8/h6*2-5H,1H3,(H,9,10)
InChIKeyUQWFGAKVPSPRGJ-UHFFFAOYSA-N
XLogP11.23
TPSA172.08 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500793.00
LogP ≤ 511.23
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1H-indazol-5-yl)-6-(trifluoromethyl)-1H-indazole
CID 89794850
N'-hydroxy-3-(1H-indazol-5-yl)-2-(3-methylphenyl)-5-(trifluoromethyl)benzenecarboximidamide;N'-hydroxy-3-(1H-indazol-5-yl)-5-(trifluoromethyl)-2-(3,4,5-trifluorophenyl)benzenecarboximidamide
CID 158938233
CID 159483552
CID 159483552
4-tert-butyl-5-chloro-1H-indazole;bis(4-tert-butyl-5,6-dimethyl-1H-indazole);4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-(trifluoromethyl)-1H-indazole
CID 159495345
4-tert-butyl-6-[2-(5,6-dimethyl-1H-indazol-4-yl)-2-methylpropyl]-5-fluoro-1H-indazole
CID 169990845
4-tert-butyl-7-[2-(5-fluoro-6-methyl-1H-indazol-4-yl)propyl]-5,6-dimethyl-1H-indazole
CID 170255098
4-[2-(6-fluoro-5-methyl-1H-indazol-4-yl)-2-methylpropyl]-6-methyl-7-propan-2-yl-1H-indazole
CID 170255099
Dichlorotetrakis(3-phenylpyrazole-kappaN^2^)copper(II)
CID 139058848
CID 139065503
CID 139065503
Dibromidotetrakis(1H-indazole-kappaN^2^)copper(II)
CID 139074170
copper;tetrakis(1H-benzo[g]indazole);dinitrate
CID 168338637
2-[4-[4-(1H-pyrazol-5-yl)-1H-indazol-5-yl]phenyl]propan-2-amine
CID 11244033

Frequently Asked Questions

What is the IUPAC name of bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)?
The IUPAC name of bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole) (CID 161168467) is bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole).
What is the SMILES notation for bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)?
The canonical SMILES for bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole) is Cc1ccc2[nH]ncc2c1.Cc1ccc2[nH]ncc2c1.Cc1ccc2cn[nH]c2c1.Cc1ccc2cn[nH]c2c1.Cc1cccc2[nH]ncc12.Cc1cccc2[nH]ncc12.
What is the InChIKey of bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)?
The InChIKey is UQWFGAKVPSPRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/6C8H8N2/c2*1-6-2-3-8-7(4-6)5-9-10-8;2*1-6-2-3-7-5-9-10-8(7)4-6;2*1-6-3-2-4-8-7(6)5-9-10-8/h6*2-5H,1H3,(H,9,10).
What are the key properties of bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole)?
bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole) has a molecular weight of 793.00 g/mol, XLogP of 11.23, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methyl-1H-indazole);bis(5-methyl-1H-indazole);bis(6-methyl-1H-indazole) is sourced from PubChem (CID 161168467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).