14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C108H72N4S4Se4 — CID 157280340

About 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 157280340) has the molecular formula C108H72N4S4Se4 and a molecular weight of 1869.90 g/mol. Its IUPAC name is 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 157280340
• Molecular Formula: C108H72N4S4Se4
• Molecular Weight: 1869.90 g/mol
• Exact Mass: 1872.13
• IUPAC Name: 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: Cc1ccc(-c2cc3cc(N4c5ccccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc(-c4ccc(C)s4)c3cc2N2c3ccccc3C(C)(C)c3cc4c(cc32)[se]c2ccccc24)s1.c1ccc2c(c1)Sc1cc3c(cc1N2c1cccc2c(N4c5ccccc5Sc5cc6c(cc54)[se]c4ccccc46)cccc12)[se]c1ccccc13
• InChI: InChI=1S/C62H46N2S2Se2.C46H26N2S2Se2/c1-35-23-25-55(65-35)42-29-38(63-50-19-11-9-17-46(50)61(3,4)48-30-43-39-15-7-13-21-57(39)67-59(43)33-53(48)63)27-37-28-45(56-26-24-36(2)66-56)52(32-41(37)42)64-51-20-12-10-18-47(51)62(5,6)49-31-44-40-16-8-14-22-58(40)68-60(44)34-54(49)64;1-7-21-43-29(11-1)31-23-41-37(25-45(31)51-43)47(35-15-3-5-19-39(35)49-41)33-17-9-14-28-27(33)13-10-18-34(28)48-36-16-4-6-20-40(36)50-42-24-32-30-12-2-8-22-44(30)52-46(32)26-38(42)48/h7-34H,1-6H3;1-26H
• InChIKey: AZOZIJJGSIBNRO-UHFFFAOYSA-N
• XLogP: 31.29
• TPSA: 12.96 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1869.90
LogP ≤ 5	31.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The IUPAC name of 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 157280340) is 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene.

What is the SMILES notation for 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The canonical SMILES for 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is Cc1ccc(-c2cc3cc(N4c5ccccc5C(C)(C)c5cc6c(cc54)[se]c4ccccc46)cc(-c4ccc(C)s4)c3cc2N2c3ccccc3C(C)(C)c3cc4c(cc32)[se]c2ccccc24)s1.c1ccc2c(c1)Sc1cc3c(cc1N2c1cccc2c(N4c5ccccc5Sc5cc6c(cc54)[se]c4ccccc46)cccc12)[se]c1ccccc13.

What is the InChIKey of 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is AZOZIJJGSIBNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H46N2S2Se2.C46H26N2S2Se2/c1-35-23-25-55(65-35)42-29-38(63-50-19-11-9-17-46(50)61(3,4)48-30-43-39-15-7-13-21-57(39)67-59(43)33-53(48)63)27-37-28-45(56-26-24-36(2)66-56)52(32-41(37)42)64-51-20-12-10-18-47(51)62(5,6)49-31-44-40-16-8-14-22-58(40)68-60(44)34-54(49)64;1-7-21-43-29(11-1)31-23-41-37(25-45(31)51-43)47(35-15-3-5-19-39(35)49-41)33-17-9-14-28-27(33)13-10-18-34(28)48-36-16-4-6-20-40(36)50-42-24-32-30-12-2-8-22-44(30)52-46(32)26-38(42)48/h7-34H,1-6H3;1-26H.

What are the key properties of 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene has a molecular weight of 1869.90 g/mol, XLogP of 31.29, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[6-(21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-3,8-bis(5-methylthiophen-2-yl)naphthalen-2-yl]-21,21-dimethyl-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene;14-[5-(21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)naphthalen-1-yl]-21-thia-10-selena-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is sourced from PubChem (CID 157280340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).