13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile

C322H188N14O4 — CID 158865797

About 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile

13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile (PubChem CID 158865797) has the molecular formula C322H188N14O4 and a molecular weight of 4317.14 g/mol. Its IUPAC name is 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile.

Molecular Properties

• Compound Name: 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile
• PubChem CID: 158865797
• Molecular Formula: C322H188N14O4
• Molecular Weight: 4317.14 g/mol
• Exact Mass: 4313.49
• IUPAC Name: 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile
• SMILES: CC(C)c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(C(C)C)c2c3ccccc3n4c12.[C-]#[N+]c1ccc(-c2ccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n4c6ccccc6c2c34)c2ccc(-c3ccc(C#N)cc3)c3c4ccccc4n5c23)cc1.c1ccc(-c2c3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7c8ccccc8n(c23)c67)c45)cc1.c1ccc(-c2c3c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7ccc8oc9cc%10ccccc%10cc9c8c7)c7c8ccccc8n(c23)c67)c45)cc1.c1ccc(-c2c3c4ccc(-c5ccc6oc7ccccc7c6c5)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7ccc8oc9ccccc9c8c7)c7c8ccccc8n(c23)c67)c45)cc1
• InChI: InChI=1S/C78H46N4.C74H40N2O2.C66H36N2O2.C56H30N4.C48H36N2/c1-5-21-47(22-6-1)69-73-59-41-39-53(49-37-43-67-61(45-49)55-29-13-17-33-63(55)79(67)51-25-9-3-10-26-51)71-58-32-16-20-36-66(58)82(75(59)71)78(73)70(48-23-7-2-8-24-48)74-60-42-40-54(72-57-31-15-19-35-65(57)81(76(60)72)77(69)74)50-38-44-68-62(46-50)56-30-14-18-34-64(56)80(68)52-27-11-4-12-28-52;1-3-15-41(16-4-1)65-69-53-31-29-49(47-27-33-61-55(37-47)57-35-43-19-7-9-21-45(43)39-63(57)77-61)67-52-24-12-14-26-60(52)76(71(53)67)74(69)66(42-17-5-2-6-18-42)70-54-32-30-50(68-51-23-11-13-25-59(51)75(72(54)68)73(65)70)48-28-34-62-56(38-48)58-36-44-20-8-10-22-46(44)40-64(58)78-62;1-3-15-37(16-4-1)57-61-47-31-29-41(39-27-33-55-49(35-39)43-19-9-13-25-53(43)69-55)59-46-22-8-12-24-52(46)68(63(47)59)66(61)58(38-17-5-2-6-18-38)62-48-32-30-42(60-45-21-7-11-23-51(45)67(64(48)60)65(57)62)40-28-34-56-50(36-40)44-20-10-14-26-54(44)70-56;1-58-38-26-24-35(25-27-38)40-29-31-44-52-48(37-14-6-3-7-15-37)55-51(47(36-12-4-2-5-13-36)56(52)60-46-19-11-9-17-42(46)50(40)54(44)60)43-30-28-39(34-22-20-33(32-57)21-23-34)49-41-16-8-10-18-45(41)59(55)53(43)49;1-27(2)31-23-25-35-43-39(29-15-7-5-8-16-29)48-44(36-26-24-32(28(3)4)42-34-20-12-14-22-38(34)50(48)46(36)42)40(30-17-9-6-10-18-30)47(43)49-37-21-13-11-19-33(37)41(31)45(35)49/h1-46H;1-40H;1-36H;2-31H;5-28H,1-4H3
• InChIKey: JBFGQUQKWRLQRU-UHFFFAOYSA-N
• XLogP: 88.71
• TPSA: 134.67 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 340
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4317.14
LogP ≤ 5	88.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile?

The IUPAC name of 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile (CID 158865797) is 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile.

What is the SMILES notation for 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile?

The canonical SMILES for 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile is CC(C)c1ccc2c3c(-c4ccccc4)c4c(c(-c5ccccc5)c3n3c5ccccc5c1c23)c1ccc(C(C)C)c2c3ccccc3n4c12.[C-]#[N+]c1ccc(-c2ccc3c4c(-c5ccccc5)c5c(c(-c6ccccc6)c4n4c6ccccc6c2c34)c2ccc(-c3ccc(C#N)cc3)c3c4ccccc4n5c23)cc1.c1ccc(-c2c3c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)c7c8ccccc8n(c23)c67)c45)cc1.c1ccc(-c2c3c4ccc(-c5ccc6oc7cc8ccccc8cc7c6c5)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7ccc8oc9cc%10ccccc%10cc9c8c7)c7c8ccccc8n(c23)c67)c45)cc1.c1ccc(-c2c3c4ccc(-c5ccc6oc7ccccc7c6c5)c5c6ccccc6n(c3c(-c3ccccc3)c3c6ccc(-c7ccc8oc9ccccc9c8c7)c7c8ccccc8n(c23)c67)c45)cc1.

What is the InChIKey of 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile?

The InChIKey is JBFGQUQKWRLQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H46N4.C74H40N2O2.C66H36N2O2.C56H30N4.C48H36N2/c1-5-21-47(22-6-1)69-73-59-41-39-53(49-37-43-67-61(45-49)55-29-13-17-33-63(55)79(67)51-25-9-3-10-26-51)71-58-32-16-20-36-66(58)82(75(59)71)78(73)70(48-23-7-2-8-24-48)74-60-42-40-54(72-57-31-15-19-35-65(57)81(76(60)72)77(69)74)50-38-44-68-62(46-50)56-30-14-18-34-64(56)80(68)52-27-11-4-12-28-52;1-3-15-41(16-4-1)65-69-53-31-29-49(47-27-33-61-55(37-47)57-35-43-19-7-9-21-45(43)39-63(57)77-61)67-52-24-12-14-26-60(52)76(71(53)67)74(69)66(42-17-5-2-6-18-42)70-54-32-30-50(68-51-23-11-13-25-59(51)75(72(54)68)73(65)70)48-28-34-62-56(38-48)58-36-44-20-8-10-22-46(44)40-64(58)78-62;1-3-15-37(16-4-1)57-61-47-31-29-41(39-27-33-55-49(35-39)43-19-9-13-25-53(43)69-55)59-46-22-8-12-24-52(46)68(63(47)59)66(61)58(38-17-5-2-6-18-38)62-48-32-30-42(60-45-21-7-11-23-51(45)67(64(48)60)65(57)62)40-28-34-56-50(36-40)44-20-10-14-26-54(44)70-56;1-58-38-26-24-35(25-27-38)40-29-31-44-52-48(37-14-6-3-7-15-37)55-51(47(36-12-4-2-5-13-36)56(52)60-46-19-11-9-17-42(46)50(40)54(44)60)43-30-28-39(34-22-20-33(32-57)21-23-34)49-41-16-8-10-18-45(41)59(55)53(43)49;1-27(2)31-23-25-35-43-39(29-15-7-5-8-16-29)48-44(36-26-24-32(28(3)4)42-34-20-12-14-22-38(34)50(48)46(36)42)40(30-17-9-6-10-18-30)47(43)49-37-21-13-11-19-33(37)41(31)45(35)49/h1-46H;1-40H;1-36H;2-31H;5-28H,1-4H3.

What are the key properties of 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile?

13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile has a molecular weight of 4317.14 g/mol, XLogP of 88.71, 22 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 13,28-bis(naphtho[2,3-b][1]benzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;13,28-di(dibenzofuran-2-yl)-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(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-bis(9-phenylcarbazol-3-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;3,18-diphenyl-13,28-di(propan-2-yl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene;4-[28-(4-isocyanophenyl)-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(31),2(19),3,6,8,10,12,14,16(32),17,21,23,25,27,29-pentadecaen-13-yl]benzonitrile is sourced from PubChem (CID 158865797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).