4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

C248H166N10O10 — CID 159743279

About 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine

4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (PubChem CID 159743279) has the molecular formula C248H166N10O10 and a molecular weight of 3446.12 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.

Molecular Properties

• Compound Name: 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
• PubChem CID: 159743279
• Molecular Formula: C248H166N10O10
• Molecular Weight: 3446.12 g/mol
• Exact Mass: 3443.28
• IUPAC Name: 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine
• SMILES: CC(C)c1ccc(N(c2ccc(-c3cc4ccccc4o3)cc2)c2ccc(-c3cc4c5cc(-c6ccc(N(c7ccc(-c8cc9ccccc9o8)cc7)c7ccc(C(C)C)cc7)cc6)oc5c5ccccc5c4o3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5o4)cc3)c3ccc4c5c6ccc7c(c6ccc5n(-c5ccccc5)c4c3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)cc3n7-c3ccccc3)cc2)cc1.c1ccc(-n2c3cc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)ccc3c3c4ccc5c(c4ccc32)c2ccc(N(c3ccc(-c4cc6ccccc6o4)cc3)c3ccc(-c4cc6ccccc6o4)cc3)cc2n5-c2ccccc2)cc1
• InChI: InChI=1S/C90H56N4O4.C86H56N4O2.C72H54N2O4/c1-3-19-65(20-4-1)93-77-49-47-74-73(89(77)75-45-43-71(55-79(75)93)91(67-35-27-57(28-36-67)85-51-61-15-7-11-23-81(61)95-85)68-37-29-58(30-38-68)86-52-62-16-8-12-24-82(62)96-86)48-50-78-90(74)76-46-44-72(56-80(76)94(78)66-21-5-2-6-22-66)92(69-39-31-59(32-40-69)87-53-63-17-9-13-25-83(63)97-87)70-41-33-60(34-42-70)88-54-64-18-10-14-26-84(64)98-88;1-5-17-57(18-6-1)59-29-37-67(38-30-59)87(69-41-33-61(34-42-69)83-53-63-21-13-15-27-81(63)91-83)71-45-47-75-79(55-71)89(65-23-9-3-10-24-65)77-51-49-74-73(85(75)77)50-52-78-86(74)76-48-46-72(56-80(76)90(78)66-25-11-4-12-26-66)88(68-39-31-60(32-40-68)58-19-7-2-8-20-58)70-43-35-62(36-44-70)84-54-64-22-14-16-28-82(64)92-84;1-45(2)47-17-29-55(30-18-47)73(57-33-21-49(22-34-57)67-41-53-11-5-9-15-65(53)75-67)59-37-25-51(26-38-59)69-43-63-64-44-70(78-72(64)62-14-8-7-13-61(62)71(63)77-69)52-27-39-60(40-28-52)74(56-31-19-48(20-32-56)46(3)4)58-35-23-50(24-36-58)68-42-54-12-6-10-16-66(54)76-68/h1-56H;1-56H;5-46H,1-4H3
• InChIKey: NCSOEJPPJSPTHJ-UHFFFAOYSA-N
• XLogP: 71.44
• TPSA: 170.56 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 36
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3446.12
LogP ≤ 5	71.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?

The IUPAC name of 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine (CID 159743279) is 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine.

What is the SMILES notation for 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?

The canonical SMILES for 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is CC(C)c1ccc(N(c2ccc(-c3cc4ccccc4o3)cc2)c2ccc(-c3cc4c5cc(-c6ccc(N(c7ccc(-c8cc9ccccc9o8)cc7)c7ccc(C(C)C)cc7)cc6)oc5c5ccccc5c4o3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4cc5ccccc5o4)cc3)c3ccc4c5c6ccc7c(c6ccc5n(-c5ccccc5)c4c3)c3ccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)cc3n7-c3ccccc3)cc2)cc1.c1ccc(-n2c3cc(N(c4ccc(-c5cc6ccccc6o5)cc4)c4ccc(-c5cc6ccccc6o5)cc4)ccc3c3c4ccc5c(c4ccc32)c2ccc(N(c3ccc(-c4cc6ccccc6o4)cc3)c3ccc(-c4cc6ccccc6o4)cc3)cc2n5-c2ccccc2)cc1.

What is the InChIKey of 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?

The InChIKey is NCSOEJPPJSPTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H56N4O4.C86H56N4O2.C72H54N2O4/c1-3-19-65(20-4-1)93-77-49-47-74-73(89(77)75-45-43-71(55-79(75)93)91(67-35-27-57(28-36-67)85-51-61-15-7-11-23-81(61)95-85)68-37-29-58(30-38-68)86-52-62-16-8-12-24-82(62)96-86)48-50-78-90(74)76-46-44-72(56-80(76)94(78)66-21-5-2-6-22-66)92(69-39-31-59(32-40-69)87-53-63-17-9-13-25-83(63)97-87)70-41-33-60(34-42-70)88-54-64-18-10-14-26-84(64)98-88;1-5-17-57(18-6-1)59-29-37-67(38-30-59)87(69-41-33-61(34-42-69)83-53-63-21-13-15-27-81(63)91-83)71-45-47-75-79(55-71)89(65-23-9-3-10-24-65)77-51-49-74-73(85(75)77)50-52-78-86(74)76-48-46-72(56-80(76)90(78)66-25-11-4-12-26-66)88(68-39-31-60(32-40-68)58-19-7-2-8-20-58)70-43-35-62(36-44-70)84-54-64-22-14-16-28-82(64)92-84;1-45(2)47-17-29-55(30-18-47)73(57-33-21-49(22-34-57)67-41-53-11-5-9-15-65(53)75-67)59-37-25-51(26-38-59)69-43-63-64-44-70(78-72(64)62-14-8-7-13-61(62)71(63)77-69)52-27-39-60(40-28-52)74(56-31-19-48(20-32-56)46(3)4)58-35-23-50(24-36-58)68-42-54-12-6-10-16-66(54)76-68/h1-56H;1-56H;5-46H,1-4H3.

What are the key properties of 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine?

4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine has a molecular weight of 3446.12 g/mol, XLogP of 71.44, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1-benzofuran-2-yl)-N-[4-[9-[4-[4-(1-benzofuran-2-yl)-N-(4-propan-2-ylphenyl)anilino]phenyl]-3,10-dioxatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),2(6),4,7(11),8,12,14-heptaen-4-yl]phenyl]-N-(4-propan-2-ylphenyl)aniline;6-N,18-N-bis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-6-N,18-N-bis(4-phenylphenyl)-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine;6-N,6-N,18-N,18-N-tetrakis[4-(1-benzofuran-2-yl)phenyl]-9,21-diphenyl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene-6,18-diamine is sourced from PubChem (CID 159743279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).