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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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

C214H174N8 — CID 158338950

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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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 158338950) has the molecular formula C214H174N8 and a molecular weight of 2857.80 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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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: 158338950
• Molecular Formula: C214H174N8
• Molecular Weight: 2857.80 g/mol
• Exact Mass: 2855.39
• 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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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.[C-]#[N+]c1ccc2c3cc(N(c4ccc(C(C)C)cc4)c4cc(C)cc(C)c4)ccc3c3c4c(C#N)ccc5c6cc(N(c7ccc(C(C)C)cc7)c7cc(C)cc(C)c7)ccc6c(c1c23)c54
• InChI: InChI=1S/C78H60N2.C74H64N2.C62H50N4/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;1-35(2)41-10-15-44(16-11-41)65(48-28-37(5)26-38(6)29-48)46-19-22-51-55(33-46)53-24-25-56(64-9)62-60-52-23-20-47(32-54(52)50-21-14-43(34-63)57(58(50)60)59(51)61(53)62)66(49-30-39(7)27-40(8)31-49)45-17-12-42(13-18-45)36(3)4/h9-44H,1-8H3;13-40H,1-12H3;10-33,35-36H,1-8H3
• InChIKey: GQXSKGLYLNVOCG-UHFFFAOYSA-N
• XLogP: 62.31
• TPSA: 47.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2857.80
LogP ≤ 5	62.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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 158338950) 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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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.[C-]#[N+]c1ccc2c3cc(N(c4ccc(C(C)C)cc4)c4cc(C)cc(C)c4)ccc3c3c4c(C#N)ccc5c6cc(N(c7ccc(C(C)C)cc7)c7cc(C)cc(C)c7)ccc6c(c1c23)c54.

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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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 GQXSKGLYLNVOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H60N2.C74H64N2.C62H50N4/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;1-35(2)41-10-15-44(16-11-41)65(48-28-37(5)26-38(6)29-48)46-19-22-51-55(33-46)53-24-25-56(64-9)62-60-52-23-20-47(32-54(52)50-21-14-43(34-63)57(58(50)60)59(51)61(53)62)66(49-30-39(7)27-40(8)31-49)45-17-12-42(13-18-45)36(3)4/h9-44H,1-8H3;13-40H,1-12H3;10-33,35-36H,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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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 2857.80 g/mol, XLogP of 62.31, 24 rotatable bonds, 0 hydrogen bond donors, and 7 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;5,12-bis(N-(3,5-dimethylphenyl)-4-propan-2-ylanilino)-8-isocyanorubicene-1-carbonitrile;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 158338950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).