7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
C228H154N6O12 — CID 158714126
Data last refreshed: (MolForge compound catalog, from PubChem)
About 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine
7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine (PubChem CID 158714126) has the molecular formula C228H154N6O12 and a molecular weight of 3169.77 g/mol. Its IUPAC name is 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine.
Molecular Properties
| Compound Name | 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine |
|---|---|
| PubChem CID | 158714126 |
| Molecular Formula | C228H154N6O12 |
| Molecular Weight | 3169.77 g/mol |
| Exact Mass | 3167.16 |
| IUPAC Name | 7-N,19-N-bis(4-cyclohexylphenyl)-7-N,19-N-bis(naphtho[1,2-b][1]benzofuran-9-yl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,1-b][1]benzofuran-9-yl)-7-N,19-N-bis(3-phenylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine;7-N,19-N-bis(naphtho[2,3-b][1]benzofuran-3-yl)-7-N,19-N-bis(4-propan-2-ylphenyl)-10,16-dioxahexacyclo[11.11.0.03,11.04,9.015,23.017,22]tetracosa-1,3(11),4(9),5,7,12,14,17(22),18,20,23-undecaene-7,19-diamine |
| SMILES | CC(C)c1ccc(N(c2ccc3c(c2)oc2cc4ccccc4cc23)c2ccc3c(c2)oc2cc4cc5oc6cc(N(c7ccc(C(C)C)cc7)c7ccc8c(c7)oc7cc9ccccc9cc78)ccc6c5cc4cc23)cc1.c1ccc(-c2cccc(N(c3ccc4c(c3)oc3cc5cc6oc7cc(N(c8cccc(-c9ccccc9)c8)c8ccc9c(c8)oc8ccc%10ccccc%10c89)ccc7c6cc5cc34)c3ccc4c(c3)oc3ccc5ccccc5c34)c2)cc1.c1ccc2c(c1)ccc1c3ccc(N(c4ccc(C5CCCCC5)cc4)c4ccc5c(c4)oc4cc6cc7oc8cc(N(c9ccc(C%10CCCCC%10)cc9)c9ccc%10c(c9)oc9c%11ccccc%11ccc%109)ccc8c7cc6cc45)cc3oc21 |
| InChI | InChI=1S/C78H46N2O4.C78H58N2O4.C72H50N2O4/c1-3-13-47(14-4-1)51-19-11-21-55(37-51)79(59-29-33-65-75(45-59)81-69-35-25-49-17-7-9-23-61(49)77(65)69)57-27-31-63-67-39-53-40-68-64-32-28-58(44-74(64)84-72(68)42-54(53)41-71(67)83-73(63)43-57)80(56-22-12-20-52(38-56)48-15-5-2-6-16-48)60-30-34-66-76(46-60)82-70-36-26-50-18-8-10-24-62(50)78(66)70;1-3-11-47(12-4-1)49-19-25-55(26-20-49)79(59-29-35-63-67-33-23-51-15-7-9-17-61(51)77(67)83-75(63)45-59)57-31-37-65-69-39-53-40-70-66-38-32-58(44-74(66)82-72(70)42-54(53)41-71(69)81-73(65)43-57)80(56-27-21-50(22-28-56)48-13-5-2-6-14-48)60-30-36-64-68-34-24-52-16-8-10-18-62(52)78(68)84-76(64)46-60;1-41(2)43-13-17-51(18-14-43)73(53-21-25-57-61-29-45-9-5-7-11-47(45)33-65(61)75-69(57)37-53)55-23-27-59-63-31-49-32-64-60-28-24-56(40-72(60)78-68(64)36-50(49)35-67(63)77-71(59)39-55)74(52-19-15-44(16-20-52)42(3)4)54-22-26-58-62-30-46-10-6-8-12-48(46)34-66(62)76-70(58)38-54/h1-46H;7-10,15-48H,1-6,11-14H2;5-42H,1-4H3 |
| InChIKey | IJCCWUBMMKMDGX-UHFFFAOYSA-N |
| XLogP | 68.73 |
| TPSA | 177.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 246 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3169.77 |
| LogP ≤ 5 | 68.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
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Sources
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