8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine

C164H160N4 — CID 160805529

About 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine

8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine (PubChem CID 160805529) has the molecular formula C164H160N4 and a molecular weight of 2187.11 g/mol. Its IUPAC name is 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine.

Molecular Properties

• Compound Name: 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
• PubChem CID: 160805529
• Molecular Formula: C164H160N4
• Molecular Weight: 2187.11 g/mol
• Exact Mass: 2185.26
• IUPAC Name: 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine
• SMILES: Cc1c(C)c(C)c(N(c2c(C)c(C)c(C)c(C)c2C)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7c(C)c(C)c(C)c(C)c7C)c7c(C)c(C)c(C)c(C)c7C)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c(C)c1C.Cc1c(C)c(C)c(N(c2c(C)c(C)c(C)c(C)c2C)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8c(C)c(C)c(C)c(C)c8C)c8c(C)c(C)c(C)c(C)c8C)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c(C)c1C
• InChI: InChI=1S/2C82H80N2/c1-41-45(5)53(13)79(54(14)46(41)6)83(80-55(15)47(7)42(2)48(8)56(80)16)69-39-37-67-73-63(69)33-27-35-65(73)75-71(61-29-23-21-24-30-61)78-68-38-40-70(64-34-28-36-66(74(64)68)76(78)72(77(67)75)62-31-25-22-26-32-62)84(81-57(17)49(9)43(3)50(10)58(81)18)82-59(19)51(11)44(4)52(12)60(82)20;1-41-45(5)53(13)79(54(14)46(41)6)83(80-55(15)47(7)42(2)48(8)56(80)16)69-39-37-67-73-63(69)33-27-35-65(73)75-71(61-29-23-21-24-30-61)76-66-36-28-34-64-70(40-38-68(74(64)66)78(76)72(77(67)75)62-31-25-22-26-32-62)84(81-57(17)49(9)43(3)50(10)58(81)18)82-59(19)51(11)44(4)52(12)60(82)20/h2*21-40H,1-20H3
• InChIKey: SDQDXWLZHBOUDP-UHFFFAOYSA-N
• XLogP: 47.85
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2187.11
LogP ≤ 5	47.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?

The IUPAC name of 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine (CID 160805529) is 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine.

What is the SMILES notation for 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?

The canonical SMILES for 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine is Cc1c(C)c(C)c(N(c2c(C)c(C)c(C)c(C)c2C)c2ccc3c4c(-c5ccccc5)c5c6ccc(N(c7c(C)c(C)c(C)c(C)c7C)c7c(C)c(C)c(C)c(C)c7C)c7cccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c(C)c1C.Cc1c(C)c(C)c(N(c2c(C)c(C)c(C)c(C)c2C)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8c(C)c(C)c(C)c(C)c8C)c8c(C)c(C)c(C)c(C)c8C)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)c(C)c1C.

What is the InChIKey of 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?

The InChIKey is SDQDXWLZHBOUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C82H80N2/c1-41-45(5)53(13)79(54(14)46(41)6)83(80-55(15)47(7)42(2)48(8)56(80)16)69-39-37-67-73-63(69)33-27-35-65(73)75-71(61-29-23-21-24-30-61)78-68-38-40-70(64-34-28-36-66(74(64)68)76(78)72(77(67)75)62-31-25-22-26-32-62)84(81-57(17)49(9)43(3)50(10)58(81)18)82-59(19)51(11)44(4)52(12)60(82)20;1-41-45(5)53(13)79(54(14)46(41)6)83(80-55(15)47(7)42(2)48(8)56(80)16)69-39-37-67-73-63(69)33-27-35-65(73)75-71(61-29-23-21-24-30-61)76-66-36-28-34-64-70(40-38-68(74(64)66)78(76)72(77(67)75)62-31-25-22-26-32-62)84(81-57(17)49(9)43(3)50(10)58(81)18)82-59(19)51(11)44(4)52(12)60(82)20/h2*21-40H,1-20H3.

What are the key properties of 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine?

8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine has a molecular weight of 2187.11 g/mol, XLogP of 47.85, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,8-N,20-N,20-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(24),2(16),3,5(26),6,8,10,12,14,17(25),18,20,22-tridecaene-8,20-diamine;8-N,8-N,22-N,22-N-tetrakis(2,3,4,5,6-pentamethylphenyl)-3,15-diphenylheptacyclo[15.7.1.15,9.02,16.04,14.021,25.013,26]hexacosa-1(25),2(16),3,5(26),6,8,10,12,14,17,19,21,23-tridecaene-8,22-diamine is sourced from PubChem (CID 160805529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).