bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline

C170H203N19 — CID 160597576

About bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline

bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline (PubChem CID 160597576) has the molecular formula C170H203N19 and a molecular weight of 2512.63 g/mol. Its IUPAC name is bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline.

Molecular Properties

• Compound Name: bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline
• PubChem CID: 160597576
• Molecular Formula: C170H203N19
• Molecular Weight: 2512.63 g/mol
• Exact Mass: 2510.65
• IUPAC Name: bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline
• SMILES: CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccncc2c1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1cncc2ccccc12.CC(C)c1ccc2cnccc2c1
• InChI: InChI=1S/5C13H15N.2C12H14N2.3C12H15N.C12H13N.3C11H14N2/c1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;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;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h5*4-9H,1-3H3;2*4-8H,1-3H3;3*4-8,13H,1-3H3;3-9H,1-2H3;3*4-7H,1-3H3,(H,12,13)
• InChIKey: RDVNJLVQIOHSKU-UHFFFAOYSA-N
• XLogP: 45.85
• TPSA: 262.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 1
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2512.63
LogP ≤ 5	45.85
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline?

The IUPAC name of bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline (CID 160597576) is bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline.

What is the SMILES notation for bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline?

The canonical SMILES for bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline is CC(C)(C)c1ccc2[nH]ccc2c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2cc[nH]c2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2ccncc2c1.CC(C)(C)c1ccc2ncccc2c1.CC(C)(C)c1cccc2[nH]ccc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cccc2[nH]ncc12.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1cnc2ccncc2c1.CC(C)(C)c1cnc2ncccc2c1.CC(C)(C)c1cncc2ccccc12.CC(C)c1ccc2cnccc2c1.

What is the InChIKey of bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline?

The InChIKey is RDVNJLVQIOHSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C13H15N.2C12H14N2.3C12H15N.C12H13N.3C11H14N2/c1-13(2,3)12-5-4-10-6-7-14-9-11(10)8-12;1-13(2,3)11-6-7-12-10(9-11)5-4-8-14-12;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-13(2,3)12-9-14-8-10-6-4-5-7-11(10)12;1-12(2,3)10-6-9-7-13-5-4-11(9)14-8-10;1-12(2,3)10-7-9-5-4-6-13-11(9)14-8-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;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;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;2*1-11(2,3)9-5-4-6-10-8(9)7-12-13-10/h5*4-9H,1-3H3;2*4-8H,1-3H3;3*4-8,13H,1-3H3;3-9H,1-2H3;3*4-7H,1-3H3,(H,12,13).

What are the key properties of bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline?

bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline has a molecular weight of 2512.63 g/mol, XLogP of 45.85, 1 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(4-tert-butyl-1H-indazole);5-tert-butyl-1H-indazole;4-tert-butyl-1H-indole;5-tert-butyl-1H-indole;6-tert-butyl-1H-indole;4-tert-butylisoquinoline;7-tert-butylisoquinoline;3-tert-butyl-1,6-naphthyridine;3-tert-butyl-1,8-naphthyridine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-propan-2-ylisoquinoline is sourced from PubChem (CID 160597576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).