8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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

C224H184N6 — CID 158507814

About 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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 (PubChem CID 158507814) has the molecular formula C224H184N6 and a molecular weight of 2959.98 g/mol. Its IUPAC name is 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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.

Molecular Properties

• Compound Name: 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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
• PubChem CID: 158507814
• Molecular Formula: C224H184N6
• Molecular Weight: 2959.98 g/mol
• Exact Mass: 2957.46
• IUPAC Name: 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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
• SMILES: Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c4c(-c5ccc6ccccc6c5)c5c6cccc7c(N(c8cc(C)cc(C)c8)c8cc(C)cc(C)c8)ccc(c5c(-c5ccc8ccccc8c5)c4c4cccc2c43)c76)c1.Cc1ccc(-c2c3c4cccc5c(N(c6ccc(C)c(C)c6)c6cc(C)c(C)c(C)c6)ccc(c3c(-c3ccc(C)cc3)c3c6cccc7c(N(c8ccc(C)c(C)c8)c8cc(C)c(C)c(C)c8)ccc(c23)c76)c54)cc1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(C(C)C)cc8)c8ccc(C)c(C)c8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1C
• InChI: InChI=1S/C78H60N2.C74H64N2.C72H60N2/c1-45-31-46(2)36-59(35-45)79(60-37-47(3)32-48(4)38-60)69-29-27-67-73-63(69)19-13-21-65(73)75-71(57-25-23-53-15-9-11-17-55(53)43-57)78-68-28-30-70(80(61-39-49(5)33-50(6)40-61)62-41-51(7)34-52(8)42-62)64-20-14-22-66(74(64)68)76(78)72(77(67)75)58-26-24-54-16-10-12-18-56(54)44-58;1-41-19-25-53(26-20-41)67-71-61-17-13-15-59-66(76(56-30-24-44(4)46(6)36-56)58-39-49(9)52(12)50(10)40-58)34-32-64(69(59)61)74(71)68(54-27-21-42(2)22-28-54)72-62-18-14-16-60-65(33-31-63(70(60)62)73(67)72)75(55-29-23-43(3)45(5)35-55)57-37-47(7)51(11)48(8)38-57;1-43(2)49-27-33-53(34-28-49)73(55-31-25-45(5)47(7)41-55)63-39-37-61-67-57(63)21-15-23-59(67)69-65(51-17-11-9-12-18-51)72-62-38-40-64(74(56-32-26-46(6)48(8)42-56)54-35-29-50(30-36-54)44(3)4)58-22-16-24-60(68(58)62)70(72)66(71(61)69)52-19-13-10-14-20-52/h9-44H,1-8H3;13-40H,1-12H3;9-44H,1-8H3
• InChIKey: HKRDRMXYNZEGDC-UHFFFAOYSA-N
• XLogP: 65.22
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2959.98
LogP ≤ 5	65.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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?

The IUPAC name of 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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 (CID 158507814) is 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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.

What is the SMILES notation for 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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?

The canonical SMILES for 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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 is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2ccc3c4c(-c5ccc6ccccc6c5)c5c6cccc7c(N(c8cc(C)cc(C)c8)c8cc(C)cc(C)c8)ccc(c5c(-c5ccc8ccccc8c5)c4c4cccc2c43)c76)c1.Cc1ccc(-c2c3c4cccc5c(N(c6ccc(C)c(C)c6)c6cc(C)c(C)c(C)c6)ccc(c3c(-c3ccc(C)cc3)c3c6cccc7c(N(c8ccc(C)c(C)c8)c8cc(C)c(C)c(C)c8)ccc(c23)c76)c54)cc1.Cc1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4c(-c5ccccc5)c5c6cccc7c(N(c8ccc(C(C)C)cc8)c8ccc(C)c(C)c8)ccc(c5c(-c5ccccc5)c4c4cccc2c43)c76)cc1C.

What is the InChIKey of 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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?

The InChIKey is HKRDRMXYNZEGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N2.C74H64N2.C72H60N2/c1-45-31-46(2)36-59(35-45)79(60-37-47(3)32-48(4)38-60)69-29-27-67-73-63(69)19-13-21-65(73)75-71(57-25-23-53-15-9-11-17-55(53)43-57)78-68-28-30-70(80(61-39-49(5)33-50(6)40-61)62-41-51(7)34-52(8)42-62)64-20-14-22-66(74(64)68)76(78)72(77(67)75)58-26-24-54-16-10-12-18-56(54)44-58;1-41-19-25-53(26-20-41)67-71-61-17-13-15-59-66(76(56-30-24-44(4)46(6)36-56)58-39-49(9)52(12)50(10)40-58)34-32-64(69(59)61)74(71)68(54-27-21-42(2)22-28-54)72-62-18-14-16-60-65(33-31-63(70(60)62)73(67)72)75(55-29-23-43(3)45(5)35-55)57-37-47(7)51(11)48(8)38-57;1-43(2)49-27-33-53(34-28-49)73(55-31-25-45(5)47(7)41-55)63-39-37-61-67-57(63)21-15-23-59(67)69-65(51-17-11-9-12-18-51)72-62-38-40-64(74(56-32-26-46(6)48(8)42-56)54-35-29-50(30-36-54)44(3)4)58-22-16-24-60(68(58)62)70(72)66(71(61)69)52-19-13-10-14-20-52/h9-44H,1-8H3;13-40H,1-12H3;9-44H,1-8H3.

What are the key properties of 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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 has a molecular weight of 2959.98 g/mol, XLogP of 65.22, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N,20-N-bis(3,4-dimethylphenyl)-3,15-bis(4-methylphenyl)-8-N,20-N-bis(3,4,5-trimethylphenyl)heptacyclo[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,20-N-bis(3,4-dimethylphenyl)-3,15-diphenyl-8-N,20-N-bis(4-propan-2-ylphenyl)heptacyclo[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,20-N,20-N-tetrakis(3,5-dimethylphenyl)-3,15-dinaphthalen-2-ylheptacyclo[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 is sourced from PubChem (CID 158507814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).