16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene

C176H102N6O4S2 — CID 163853901

About 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene

16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene (PubChem CID 163853901) has the molecular formula C176H102N6O4S2 and a molecular weight of 2428.92 g/mol. Its IUPAC name is 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene.

Molecular Properties

• Compound Name: 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
• PubChem CID: 163853901
• Molecular Formula: C176H102N6O4S2
• Molecular Weight: 2428.92 g/mol
• Exact Mass: 2426.74
• IUPAC Name: 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
• SMILES: c1ccc(-c2ccc3c(c2)c2c4ccccc4c4c5ccccc5sc4c2n3-c2ccc(-c3cccc4cc5c(cc34)oc3ccccc35)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2ccc3c(c2)oc2ccc4ccccc4c23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6oc7c8ccccc8ccc7c6c5)c4ccc32)cc1.c1ccc2c(c1)ccc1c2oc2c3ccccc3c3c(c4ccccc4n3-c3cccc4c3sc3ccc5ccccc5c34)c12
• InChI: InChI=1S/C50H29NOS.C44H26N2O.C42H23NOS.C40H24N2O/c1-2-11-30(12-3-1)32-23-26-43-42(27-32)47-37-15-4-5-16-38(37)48-39-17-7-9-20-46(39)53-50(48)49(47)51(43)34-24-21-31(22-25-34)35-18-10-13-33-28-41-36-14-6-8-19-44(36)52-45(41)29-40(33)35;1-2-12-29(13-3-1)45-38-22-18-27-10-4-6-14-31(27)43(38)36-25-35-33-16-8-9-17-37(33)46(39(35)26-40(36)45)30-20-21-34-42(24-30)47-41-23-19-28-11-5-7-15-32(28)44(34)41;1-3-12-26-24(10-1)21-23-35-36(26)32-17-9-19-34(42(32)45-35)43-33-18-8-7-16-30(33)37-38-31-22-20-25-11-2-4-13-27(25)40(31)44-41(38)29-15-6-5-14-28(29)39(37)43;1-2-11-26(12-3-1)41-33-16-8-6-14-30(33)38-35(41)21-22-36-39(38)31-15-7-9-17-34(31)42(36)27-19-23-37-32(24-27)29-20-18-25-10-4-5-13-28(25)40(29)43-37/h1-29H;1-26H;1-23H;1-24H
• InChIKey: OWRFYMFAHJLICI-UHFFFAOYSA-N
• XLogP: 50.22
• TPSA: 82.14 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2428.92
LogP ≤ 5	50.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene?

The IUPAC name of 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene (CID 163853901) is 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene.

What is the SMILES notation for 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene?

The canonical SMILES for 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene is c1ccc(-c2ccc3c(c2)c2c4ccccc4c4c5ccccc5sc4c2n3-c2ccc(-c3cccc4cc5c(cc34)oc3ccccc35)cc2)cc1.c1ccc(-n2c3cc4c(cc3c3c5ccccc5ccc32)c2ccccc2n4-c2ccc3c(c2)oc2ccc4ccccc4c23)cc1.c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc6oc7c8ccccc8ccc7c6c5)c4ccc32)cc1.c1ccc2c(c1)ccc1c2oc2c3ccccc3c3c(c4ccccc4n3-c3cccc4c3sc3ccc5ccccc5c34)c12.

What is the InChIKey of 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene?

The InChIKey is OWRFYMFAHJLICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H29NOS.C44H26N2O.C42H23NOS.C40H24N2O/c1-2-11-30(12-3-1)32-23-26-43-42(27-32)47-37-15-4-5-16-38(37)48-39-17-7-9-20-46(39)53-50(48)49(47)51(43)34-24-21-31(22-25-34)35-18-10-13-33-28-41-36-14-6-8-19-44(36)52-45(41)29-40(33)35;1-2-12-29(13-3-1)45-38-22-18-27-10-4-6-14-31(27)43(38)36-25-35-33-16-8-9-17-37(33)46(39(35)26-40(36)45)30-20-21-34-42(24-30)47-41-23-19-28-11-5-7-15-32(28)44(34)41;1-3-12-26-24(10-1)21-23-35-36(26)32-17-9-19-34(42(32)45-35)43-33-18-8-7-16-30(33)37-38-31-22-20-25-11-2-4-13-27(25)40(31)44-41(38)29-15-6-5-14-28(29)39(37)43;1-2-11-26(12-3-1)41-33-16-8-6-14-30(33)38-35(41)21-22-36-39(38)31-15-7-9-17-34(31)42(36)27-19-23-37-32(24-27)29-20-18-25-10-4-5-13-28(25)40(29)43-37/h1-29H;1-26H;1-23H;1-24H.

What are the key properties of 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene?

16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene has a molecular weight of 2428.92 g/mol, XLogP of 50.22, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 16-naphtho[2,1-b][1]benzofuran-9-yl-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17,19,21,23-undecaene;9-naphtho[1,2-b][1]benzofuran-8-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;24-(4-naphtho[7,6-b][1]benzofuran-7-ylphenyl)-20-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21-undecaene;9-naphtho[2,1-b][1]benzothiol-8-yl-18-oxa-9-azaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 163853901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).