6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine

C166H131N9 — CID 160652426

About 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine

6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine (PubChem CID 160652426) has the molecular formula C166H131N9 and a molecular weight of 2251.94 g/mol. Its IUPAC name is 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine.

Molecular Properties

• Compound Name: 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
• PubChem CID: 160652426
• Molecular Formula: C166H131N9
• Molecular Weight: 2251.94 g/mol
• Exact Mass: 2250.05
• IUPAC Name: 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine
• SMILES: Cc1cc(N(c2ccccc2)c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccccc9)c9cc(C)c(C)c(C)c9)cc8cc7n(c4cc3c2)c56)cc(C)c1C.Cc1ccc(N(c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccc(C)cc9)c9cc(C)ccc9C)cc8cc7n(c4cc3c2)c56)c2cc(C)ccc2C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccccc9)c9ccc(C)c(C)c9)cc8cc7n(c4cc3c2)c56)cc1C
• InChI: InChI=1S/2C56H45N3.C54H41N3/c1-34-24-48(25-35(2)38(34)5)57(44-14-9-7-10-15-44)46-22-20-40-30-52-50-18-13-19-51-53-31-41-21-23-47(29-43(41)33-55(53)59(56(50)51)54(52)32-42(40)28-46)58(45-16-11-8-12-17-45)49-26-36(3)39(6)37(4)27-49;1-34-12-20-44(21-13-34)57(52-26-36(3)10-16-38(52)5)46-24-18-40-30-50-48-8-7-9-49-51-31-41-19-25-47(29-43(41)33-55(51)59(56(48)49)54(50)32-42(40)28-46)58(45-22-14-35(2)15-23-45)53-27-37(4)11-17-39(53)6;1-34-18-22-44(26-36(34)3)55(42-12-7-5-8-13-42)46-24-20-38-30-50-48-16-11-17-49-51-31-39-21-25-47(29-41(39)33-53(51)57(54(48)49)52(50)32-40(38)28-46)56(43-14-9-6-10-15-43)45-23-19-35(2)37(4)27-45/h2*7-33H,1-6H3;5-33H,1-4H3
• InChIKey: RKPHUQHWJCOFET-UHFFFAOYSA-N
• XLogP: 47.18
• TPSA: 32.67 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2251.94
LogP ≤ 5	47.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine?

The IUPAC name of 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine (CID 160652426) is 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine.

What is the SMILES notation for 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine?

The canonical SMILES for 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine is Cc1cc(N(c2ccccc2)c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccccc9)c9cc(C)c(C)c(C)c9)cc8cc7n(c4cc3c2)c56)cc(C)c1C.Cc1ccc(N(c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccc(C)cc9)c9cc(C)ccc9C)cc8cc7n(c4cc3c2)c56)c2cc(C)ccc2C)cc1.Cc1ccc(N(c2ccccc2)c2ccc3cc4c5cccc6c7cc8ccc(N(c9ccccc9)c9ccc(C)c(C)c9)cc8cc7n(c4cc3c2)c56)cc1C.

What is the InChIKey of 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine?

The InChIKey is RKPHUQHWJCOFET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C56H45N3.C54H41N3/c1-34-24-48(25-35(2)38(34)5)57(44-14-9-7-10-15-44)46-22-20-40-30-52-50-18-13-19-51-53-31-41-21-23-47(29-43(41)33-55(53)59(56(50)51)54(52)32-42(40)28-46)58(45-16-11-8-12-17-45)49-26-36(3)39(6)37(4)27-49;1-34-12-20-44(21-13-34)57(52-26-36(3)10-16-38(52)5)46-24-18-40-30-50-48-8-7-9-49-51-31-41-19-25-47(29-43(41)33-55(51)59(56(48)49)54(50)32-42(40)28-46)58(45-22-14-35(2)15-23-45)53-27-37(4)11-17-39(53)6;1-34-18-22-44(26-36(34)3)55(42-12-7-5-8-13-42)46-24-20-38-30-50-48-16-11-17-49-51-31-39-21-25-47(29-41(39)33-53(51)57(54(48)49)52(50)32-40(38)28-46)56(43-14-9-6-10-15-43)45-23-19-35(2)37(4)27-45/h2*7-33H,1-6H3;5-33H,1-4H3.

What are the key properties of 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine?

6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine has a molecular weight of 2251.94 g/mol, XLogP of 47.18, 18 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N,22-N-bis(2,5-dimethylphenyl)-6-N,22-N-bis(4-methylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-bis(3,4-dimethylphenyl)-6-N,22-N-diphenyl-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine;6-N,22-N-diphenyl-6-N,22-N-bis(3,4,5-trimethylphenyl)-1-azaheptacyclo[14.10.1.02,11.04,9.012,27.017,26.019,24]heptacosa-2(11),3,5,7,9,12(27),13,15,17(26),18,20,22,24-tridecaene-6,22-diamine is sourced from PubChem (CID 160652426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).