6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine

C76H130N8 — CID 140550287

About 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine

6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine (PubChem CID 140550287) has the molecular formula C76H130N8 and a molecular weight of 1155.93 g/mol. Its IUPAC name is 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine.

Molecular Properties

• Compound Name: 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine
• PubChem CID: 140550287
• Molecular Formula: C76H130N8
• Molecular Weight: 1155.93 g/mol
• Exact Mass: 1155.04
• IUPAC Name: 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine
• SMILES: C1CCC(N(C2CC3CCCCC3CN2)C2CC(N(C3CCCCC3)C3CC4CCCCC4CN3)C3CCC4C5C(CCC2C35)C(N(C2CCCCC2)C2CCC3CCCCC3N2)CC4N(C2CCCCC2)C2CCC3CCCCC3N2)CC1
• InChI: InChI=1S/C76H130N8/c1-5-27-57(28-6-1)81(71-43-37-51-21-17-19-35-65(51)79-71)67-47-68(82(58-29-7-2-8-30-58)72-44-38-52-22-18-20-36-66(52)80-72)62-40-42-64-70(84(60-33-11-4-12-34-60)74-46-54-24-14-16-26-56(54)50-78-74)48-69(63-41-39-61(67)75(62)76(63)64)83(59-31-9-3-10-32-59)73-45-53-23-13-15-25-55(53)49-77-73/h51-80H,1-50H2
• InChIKey: BGMNQELMMXUSTE-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 61.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1155.93
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine?

The IUPAC name of 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine (CID 140550287) is 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine.

What is the SMILES notation for 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine?

The canonical SMILES for 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine is C1CCC(N(C2CC3CCCCC3CN2)C2CC(N(C3CCCCC3)C3CC4CCCCC4CN3)C3CCC4C5C(CCC2C35)C(N(C2CCCCC2)C2CCC3CCCCC3N2)CC4N(C2CCCCC2)C2CCC3CCCCC3N2)CC1.

What is the InChIKey of 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine?

The InChIKey is BGMNQELMMXUSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H130N8/c1-5-27-57(28-6-1)81(71-43-37-51-21-17-19-35-65(51)79-71)67-47-68(82(58-29-7-2-8-30-58)72-44-38-52-22-18-20-36-66(52)80-72)62-40-42-64-70(84(60-33-11-4-12-34-60)74-46-54-24-14-16-26-56(54)50-78-74)48-69(63-41-39-61(67)75(62)76(63)64)83(59-31-9-3-10-32-59)73-45-53-23-13-15-25-55(53)49-77-73/h51-80H,1-50H2.

What are the key properties of 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine?

6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine has a molecular weight of 1155.93 g/mol, XLogP of 15.88, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,8-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-3-yl)-1-N,3-N-bis(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-1-N,3-N,6-N,8-N-tetracyclohexyl-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,3,6,8-tetramine is sourced from PubChem (CID 140550287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).