14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

C122H82N6O2S2Se2 — CID 160769058

About 14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene

14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (PubChem CID 160769058) has the molecular formula C122H82N6O2S2Se2 and a molecular weight of 1886.09 g/mol. Its IUPAC name is 14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[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-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• PubChem CID: 160769058
• Molecular Formula: C122H82N6O2S2Se2
• Molecular Weight: 1886.09 g/mol
• Exact Mass: 1886.43
• IUPAC Name: 14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
• SMILES: CC(C)c1cc(N2c3ccccc3Oc3cc4c(cc32)[se]c2ccccc24)cc2c(C(C)C)cc(N3c4ccccc4Oc4cc5c(cc43)[se]c3ccccc35)cc12.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)N(c3cccc4c(N6c7ccccc7Sc7cc8c9ccccc9n(-c9cccc(-c%10ccccc%10)c9)c8cc76)cccc34)c3ccccc3S5)c2)cc1
• InChI: InChI=1S/C70H44N4S2.C52H38N2O2Se2/c1-3-19-45(20-4-1)47-23-15-25-49(39-47)71-57-31-9-7-27-53(57)55-41-69-65(43-63(55)71)73(61-33-11-13-37-67(61)75-69)59-35-17-30-52-51(59)29-18-36-60(52)74-62-34-12-14-38-68(62)76-70-42-56-54-28-8-10-32-58(54)72(64(56)44-66(70)74)50-26-16-24-48(40-50)46-21-5-2-6-22-46;1-29(2)35-21-31(53-41-15-7-9-17-45(41)55-47-25-39-33-13-5-11-19-49(33)57-51(39)27-43(47)53)24-38-36(30(3)4)22-32(23-37(35)38)54-42-16-8-10-18-46(42)56-48-26-40-34-14-6-12-20-50(34)58-52(40)28-44(48)54/h1-44H;5-30H,1-4H3
• InChIKey: RZBKTEAXBLUHCC-UHFFFAOYSA-N
• XLogP: 35.20
• TPSA: 41.28 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1886.09
LogP ≤ 5	35.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[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-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene (CID 160769058) is 14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[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-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[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-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene is CC(C)c1cc(N2c3ccccc3Oc3cc4c(cc32)[se]c2ccccc24)cc2c(C(C)C)cc(N3c4ccccc4Oc4cc5c(cc43)[se]c3ccccc35)cc12.c1ccc(-c2cccc(-n3c4ccccc4c4cc5c(cc43)N(c3cccc4c(N6c7ccccc7Sc7cc8c9ccccc9n(-c9cccc(-c%10ccccc%10)c9)c8cc76)cccc34)c3ccccc3S5)c2)cc1.

What is the InChIKey of 14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

The InChIKey is RZBKTEAXBLUHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H44N4S2.C52H38N2O2Se2/c1-3-19-45(20-4-1)47-23-15-25-49(39-47)71-57-31-9-7-27-53(57)55-41-69-65(43-63(55)71)73(61-33-11-13-37-67(61)75-69)59-35-17-30-52-51(59)29-18-36-60(52)74-62-34-12-14-38-68(62)76-70-42-56-54-28-8-10-32-58(54)72(64(56)44-66(70)74)50-26-16-24-48(40-50)46-21-5-2-6-22-46;1-29(2)35-21-31(53-41-15-7-9-17-45(41)55-47-25-39-33-13-5-11-19-49(33)57-51(39)27-43(47)53)24-38-36(30(3)4)22-32(23-37(35)38)54-42-16-8-10-18-46(42)56-48-26-40-34-14-6-12-20-50(34)58-52(40)28-44(48)54/h1-44H;5-30H,1-4H3.

What are the key properties of 14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene?

14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[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 1886.09 g/mol, XLogP of 35.20, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[6-(21-oxa-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)-4,8-di(propan-2-yl)naphthalen-2-yl]-21-oxa-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;10-(3-phenylphenyl)-14-[5-[10-(3-phenylphenyl)-21-thia-10,14-diazapentacyclo[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-10,14-diazapentacyclo[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 160769058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).