6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole

C96H121N9 — CID 159291520

IUPAC6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole
SMILESCC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cc[nH]c12.Cc1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C13H17N.6C12H15N.C11H14N2/c1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h5-8,14H,1-4H3;6*4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyLAENDOABFJVWFT-UHFFFAOYSA-N
MW1401.09 g/mol
LogP27.43
Rot. Bonds

About 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole

6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole (PubChem CID 159291520) has the molecular formula C96H121N9 and a molecular weight of 1401.09 g/mol. Its IUPAC name is 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole.

Molecular Properties

Compound Name6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole
PubChem CID159291520
Molecular FormulaC96H121N9
Molecular Weight1401.09 g/mol
Exact Mass1399.97
IUPAC Name6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole
SMILESCC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cc[nH]c12.Cc1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C13H17N.6C12H15N.C11H14N2/c1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h5-8,14H,1-4H3;6*4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyLAENDOABFJVWFT-UHFFFAOYSA-N
XLogP27.43
TPSA139.21 Ų
H-Bond Donors8
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001401.09
LogP ≤ 527.43
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

2-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]pyridin-4-amine
CID 118959991
6-(1H-indol-4-yl)-1H-indazole
CID 141446054
6-(1H-indol-4-yl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 21877464
N-[[6-[[4-(1H-indazol-4-yl)triazol-1-yl]methyl]-1H-indol-2-yl]methyl]cyclopentanamine
CID 156461637
US11420958, Ex. No. 395
CID 156190816
5-cyclopropyl-4-[[2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994176
5-cyclopropyl-4-[[(6R)-2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994186
5-cyclopropyl-4-[[(6S)-2,2-difluoro-6-[4-(1H-pyrazol-5-yl)phenyl]-7-azaspiro[3.5]nonan-7-yl]methyl]-7-methyl-1H-indole
CID 168994307
N,N-dipropyl-6-(1H-pyrazol-5-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 9797260
3-[3-[1-[4-[4-[5-(1H-indol-3-yl)-1H-pyrazol-3-yl]-5-methyltriazol-1-yl]phenyl]-5-methyltriazol-4-yl]-1H-pyrazol-5-yl]-1H-indole
CID 177651626
6,12-bis(1H-indol-3-yl)-6,12-dimethyl-5,7-dihydroindolo[2,3-b]carbazole
CID 139229709
3-[1,4,4-tris(1H-indol-3-yl)cyclohexyl]-1H-indole
CID 139229715

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole?
The IUPAC name of 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole (CID 159291520) is 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole.
What is the SMILES notation for 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole?
The canonical SMILES for 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole is CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cc[nH]c12.Cc1cc2cc(C(C)(C)C)ccc2[nH]1.
What is the InChIKey of 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole?
The InChIKey is LAENDOABFJVWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.6C12H15N.C11H14N2/c1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;1-12(2,3)10-5-4-6-11-9(10)7-8-13-11;2*1-12(2,3)10-6-4-5-9-7-8-13-11(9)10;1-11(2,3)9-5-4-8-7-12-13-10(8)6-9/h5-8,14H,1-4H3;6*4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13).
What are the key properties of 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole?
6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole has a molecular weight of 1401.09 g/mol, XLogP of 27.43, 0 rotatable bonds, 8 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole is sourced from PubChem (CID 159291520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).