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

C98H123N7 — CID 157068160

IUPAC6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole
SMILESCC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cc[nH]c12.Cc1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C13H17N.2C13H16.4C12H15N.C11H14N2/c1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;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;4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4*4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyACCRZTSUIDBMKY-UHFFFAOYSA-N
MW1399.11 g/mol
LogP27.60
Rot. Bonds

About 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;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-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole (PubChem CID 157068160) has the molecular formula C98H123N7 and a molecular weight of 1399.11 g/mol. Its IUPAC name is 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;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-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole
PubChem CID157068160
Molecular FormulaC98H123N7
Molecular Weight1399.11 g/mol
Exact Mass1397.98
IUPAC Name6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole
SMILESCC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1C=CC2.CC(C)(C)c1cccc2cc[nH]c12.CC(C)(C)c1cccc2cc[nH]c12.Cc1cc2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C13H17N.2C13H16.4C12H15N.C11H14N2/c1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;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;4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4*4-8,13H,1-3H3;4-7H,1-3H3,(H,12,13)
InChIKeyACCRZTSUIDBMKY-UHFFFAOYSA-N
XLogP27.60
TPSA107.63 Ų
H-Bond Donors6
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001399.11
LogP ≤ 527.60
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 101

Analyze 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;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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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;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-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole (CID 157068160) is 6-tert-butyl-1H-indazole;4-tert-butyl-1H-indene;5-tert-butyl-1H-indene;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-indene;5-tert-butyl-1H-indene;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-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole is CC(C)(C)c1ccc2c(c1)C=CC2.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cn[nH]c2c1.CC(C)(C)c1cccc2c1C=CC2.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-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole?
The InChIKey is ACCRZTSUIDBMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.2C13H16.4C12H15N.C11H14N2/c1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-13(2,3)12-9-5-7-10-6-4-8-11(10)12;1-13(2,3)12-8-7-10-5-4-6-11(10)9-12;2*1-12(2,3)10-5-4-9-6-7-13-11(9)8-10;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;4-5,7-9H,6H2,1-3H3;4,6-9H,5H2,1-3H3;4*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-indene;5-tert-butyl-1H-indene;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-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole has a molecular weight of 1399.11 g/mol, XLogP of 27.60, 0 rotatable bonds, 6 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-indene;5-tert-butyl-1H-indene;bis(6-tert-butyl-1H-indole);bis(7-tert-butyl-1H-indole);5-tert-butyl-2-methyl-1H-indole is sourced from PubChem (CID 157068160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).