8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

C161H142N8 — CID 165019608

About 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine

8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (PubChem CID 165019608) has the molecular formula C161H142N8 and a molecular weight of 2188.96 g/mol. Its IUPAC name is 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

Molecular Properties

• Compound Name: 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• PubChem CID: 165019608
• Molecular Formula: C161H142N8
• Molecular Weight: 2188.96 g/mol
• Exact Mass: 2187.14
• IUPAC Name: 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4n7c32)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccc(C(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4n7c32)cc1
• InChI: InChI=1S/C82H74N4.C79H68N4/c1-79(2,3)53-29-37-57(38-30-53)83(58-39-31-54(32-40-58)80(4,5)6)61-45-47-63-65-25-19-27-67-73-72(52-23-17-14-18-24-52)78-74(71(51-21-15-13-16-22-51)77(73)85(75(65)67)69(63)49-61)68-28-20-26-66-64-48-46-62(50-70(64)86(78)76(66)68)84(59-41-33-55(34-42-59)81(7,8)9)60-43-35-56(36-44-60)82(10,11)12;1-48(2)51-26-34-57(35-27-51)80(58-36-28-52(29-37-58)49(3)4)61-42-44-63-65-22-16-24-67-73-72(55-20-14-11-15-21-55)78-74(71(54-18-12-10-13-19-54)77(73)82(75(65)67)69(63)46-61)68-25-17-23-66-64-45-43-62(47-70(64)83(78)76(66)68)81(59-38-30-53(31-39-59)50(5)6)60-40-32-56(33-41-60)79(7,8)9/h13-50H,1-12H3;10-50H,1-9H3
• InChIKey: KYQYFVMRNAPWPU-UHFFFAOYSA-N
• XLogP: 46.38
• TPSA: 30.60 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2188.96
LogP ≤ 5	46.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The IUPAC name of 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine (CID 165019608) is 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine.

What is the SMILES notation for 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The canonical SMILES for 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4n7c32)cc1.CC(C)c1ccc(N(c2ccc(C(C)C)cc2)c2ccc3c4cccc5c6c(-c7ccccc7)c7c(c(-c8ccccc8)c6n(c3c2)c45)c2cccc3c4ccc(N(c5ccc(C(C)C)cc5)c5ccc(C(C)(C)C)cc5)cc4n7c32)cc1.

What is the InChIKey of 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

The InChIKey is KYQYFVMRNAPWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H74N4.C79H68N4/c1-79(2,3)53-29-37-57(38-30-53)83(58-39-31-54(32-40-58)80(4,5)6)61-45-47-63-65-25-19-27-67-73-72(52-23-17-14-18-24-52)78-74(71(51-21-15-13-16-22-51)77(73)85(75(65)67)69(63)49-61)68-28-20-26-66-64-48-46-62(50-70(64)86(78)76(66)68)84(59-41-33-55(34-42-59)81(7,8)9)60-43-35-56(36-44-60)82(10,11)12;1-48(2)51-26-34-57(35-27-51)80(58-36-28-52(29-37-58)49(3)4)61-42-44-63-65-22-16-24-67-73-72(55-20-14-11-15-21-55)78-74(71(54-18-12-10-13-19-54)77(73)82(75(65)67)69(63)46-61)68-25-17-23-66-64-45-43-62(47-70(64)83(78)76(66)68)81(59-38-30-53(31-39-59)50(5)6)60-40-32-56(33-41-60)79(7,8)9/h13-50H,1-12H3;10-50H,1-9H3.

What are the key properties of 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine?

8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine has a molecular weight of 2188.96 g/mol, XLogP of 46.38, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-N-(4-tert-butylphenyl)-3,18-diphenyl-8-N,23-N,23-N-tris(4-propan-2-ylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine;8-N,8-N,23-N,23-N-tetrakis(4-tert-butylphenyl)-3,18-diphenyl-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(30),2,4(17),6(11),7,9,12(32),13,15,18,21(26),22,24,27(31),28-pentadecaene-8,23-diamine is sourced from PubChem (CID 165019608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).