18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine

C214H156N12O2 — CID 157092055

About 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine

18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine (PubChem CID 157092055) has the molecular formula C214H156N12O2 and a molecular weight of 2927.68 g/mol. Its IUPAC name is 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine.

Molecular Properties

• Compound Name: 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine
• PubChem CID: 157092055
• Molecular Formula: C214H156N12O2
• Molecular Weight: 2927.68 g/mol
• Exact Mass: 2925.25
• IUPAC Name: 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine
• SMILES: CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c5cc6c(c7ccccc7n6-c6ccccc6)c6c7cc8ccc(N(c9ccc(C(C)(C)C)cc9)c9ccc(C(C)(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.c1ccc(N(c2ccc3cc4c5cc6c(c7ccccc7n6-c6ccccc6)c6c7cc8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8cc7n(c4cc3c2)c56)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3cc4c5cc6c(c7ccccc7n6-c6ccccc6)c6c7cc8ccc(N(c9ccccc9)c9ccccc9)cc8cc7n(c4cc3c2)c56)cc1
• InChI: InChI=1S/C78H72N4.C74H44N4O2.C62H40N4/c1-75(2,3)53-24-34-58(35-25-53)79(59-36-26-54(27-37-59)76(4,5)6)62-32-22-49-44-65-66-48-71-72(64-20-16-17-21-68(64)81(71)57-18-14-13-15-19-57)73-67-45-50-23-33-63(43-52(50)47-70(67)82(74(66)73)69(65)46-51(49)42-62)80(60-38-28-55(29-39-60)77(7,8)9)61-40-30-56(31-41-61)78(10,11)12;1-4-18-49(19-5-1)75(63-30-16-27-56-54-24-11-14-32-68(54)79-73(56)63)52-36-34-45-40-59-60-44-67-70(58-26-10-13-29-62(58)77(67)51-22-8-3-9-23-51)71-61-41-46-35-37-53(39-48(46)43-66(61)78(72(60)71)65(59)42-47(45)38-52)76(50-20-6-2-7-21-50)64-31-17-28-57-55-25-12-15-33-69(55)80-74(57)64;1-6-18-45(19-7-1)63(46-20-8-2-9-21-46)50-32-30-41-36-53-54-40-59-60(52-28-16-17-29-56(52)65(59)49-26-14-5-15-27-49)61-55-37-42-31-33-51(64(47-22-10-3-11-23-47)48-24-12-4-13-25-48)35-44(42)39-58(55)66(62(54)61)57(53)38-43(41)34-50/h13-48H,1-12H3;1-44H;1-40H
• InChIKey: AETVYXFABXDRGU-UHFFFAOYSA-N
• XLogP: 60.53
• TPSA: 73.74 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2927.68
LogP ≤ 5	60.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine?

The IUPAC name of 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine (CID 157092055) is 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine.

What is the SMILES notation for 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine?

The canonical SMILES for 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3cc4c5cc6c(c7ccccc7n6-c6ccccc6)c6c7cc8ccc(N(c9ccc(C(C)(C)C)cc9)c9ccc(C(C)(C)C)cc9)cc8cc7n(c4cc3c2)c56)cc1.c1ccc(N(c2ccc3cc4c5cc6c(c7ccccc7n6-c6ccccc6)c6c7cc8ccc(N(c9ccccc9)c9cccc%10c9oc9ccccc9%10)cc8cc7n(c4cc3c2)c56)c2cccc3c2oc2ccccc23)cc1.c1ccc(N(c2ccccc2)c2ccc3cc4c5cc6c(c7ccccc7n6-c6ccccc6)c6c7cc8ccc(N(c9ccccc9)c9ccccc9)cc8cc7n(c4cc3c2)c56)cc1.

What is the InChIKey of 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine?

The InChIKey is AETVYXFABXDRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H72N4.C74H44N4O2.C62H40N4/c1-75(2,3)53-24-34-58(35-25-53)79(59-36-26-54(27-37-59)76(4,5)6)62-32-22-49-44-65-66-48-71-72(64-20-16-17-21-68(64)81(71)57-18-14-13-15-19-57)73-67-45-50-23-33-63(43-52(50)47-70(67)82(74(66)73)69(65)46-51(49)42-62)80(60-38-28-55(29-39-60)77(7,8)9)61-40-30-56(31-41-61)78(10,11)12;1-4-18-49(19-5-1)75(63-30-16-27-56-54-24-11-14-32-68(54)79-73(56)63)52-36-34-45-40-59-60-44-67-70(58-26-10-13-29-62(58)77(67)51-22-8-3-9-23-51)71-61-41-46-35-37-53(39-48(46)43-66(61)78(72(60)71)65(59)42-47(45)38-52)76(50-20-6-2-7-21-50)64-31-17-28-57-55-25-12-15-33-69(55)80-74(57)64;1-6-18-45(19-7-1)63(46-20-8-2-9-21-46)50-32-30-41-36-53-54-40-59-60(52-28-16-17-29-56(52)65(59)49-26-14-5-15-27-49)61-55-37-42-31-33-51(64(47-22-10-3-11-23-47)48-24-12-4-13-25-48)35-44(42)39-58(55)66(62(54)61)57(53)38-43(41)34-50/h13-48H,1-12H3;1-44H;1-40H.

What are the key properties of 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine?

18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine has a molecular weight of 2927.68 g/mol, XLogP of 60.53, 21 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 18-N,28-N-di(dibenzofuran-4-yl)-18-N,28-N,9-triphenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N,9-pentakis-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine;18-N,18-N,28-N,28-N-tetrakis(4-tert-butylphenyl)-9-phenyl-9,23-diazanonacyclo[21.10.1.02,10.03,8.012,34.013,22.015,20.024,33.026,31]tetratriaconta-1(34),2(10),3,5,7,11,13(22),14,16,18,20,24(33),25,27,29,31-hexadecaene-18,28-diamine is sourced from PubChem (CID 157092055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).