9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene

C136H78N4S8 — CID 162177194

About 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene

9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene (PubChem CID 162177194) has the molecular formula C136H78N4S8 and a molecular weight of 2024.68 g/mol. Its IUPAC name is 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene.

Molecular Properties

• Compound Name: 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
• PubChem CID: 162177194
• Molecular Formula: C136H78N4S8
• Molecular Weight: 2024.68 g/mol
• Exact Mass: 2022.40
• IUPAC Name: 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene
• SMILES: c1cc(-c2cccc3ccccc23)cc(-n2c3ccccc3c3ccc4c5sc6ccccc6c5sc4c32)c1.c1ccc2cc(-c3ccc4cc(-n5c6ccccc6c6ccc7c8sc9ccccc9c8sc7c65)ccc4c3)ccc2c1.c1ccc2cc(-n3c4ccccc4c4c5sc6c7ccccc7sc6c5ccc43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc5c(cc43)sc3c4ccccc4sc53)ccc2c1
• InChI: InChI=1S/C40H23NS2.C36H21NS2.2C30H17NS2/c1-2-8-25-21-26(14-13-24(25)7-1)27-15-16-29-23-30(18-17-28(29)22-27)41-35-11-5-3-9-31(35)32-19-20-34-38(37(32)41)43-39-33-10-4-6-12-36(33)42-40(34)39;1-2-13-25-22(9-1)10-8-16-26(25)23-11-7-12-24(21-23)37-31-17-5-3-14-27(31)28-19-20-30-34(33(28)37)39-35-29-15-4-6-18-32(29)38-36(30)35;1-2-8-19-15-20(14-13-18(19)7-1)31-25-11-5-3-9-21(25)23-16-24-28(17-26(23)31)33-29-22-10-4-6-12-27(22)32-30(24)29;1-2-8-19-17-20(14-13-18(19)7-1)31-24-11-5-3-9-21(24)27-25(31)16-15-23-28(27)33-29-22-10-4-6-12-26(22)32-30(23)29/h1-23H;1-21H;2*1-17H
• InChIKey: ZONRBMRFUSNKOC-UHFFFAOYSA-N
• XLogP: 42.57
• TPSA: 19.72 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2024.68
LogP ≤ 5	42.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The IUPAC name of 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene (CID 162177194) is 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene.

What is the SMILES notation for 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The canonical SMILES for 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene is c1cc(-c2cccc3ccccc23)cc(-n2c3ccccc3c3ccc4c5sc6ccccc6c5sc4c32)c1.c1ccc2cc(-c3ccc4cc(-n5c6ccccc6c6ccc7c8sc9ccccc9c8sc7c65)ccc4c3)ccc2c1.c1ccc2cc(-n3c4ccccc4c4c5sc6c7ccccc7sc6c5ccc43)ccc2c1.c1ccc2cc(-n3c4ccccc4c4cc5c(cc43)sc3c4ccccc4sc53)ccc2c1.

What is the InChIKey of 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

The InChIKey is ZONRBMRFUSNKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H23NS2.C36H21NS2.2C30H17NS2/c1-2-8-25-21-26(14-13-24(25)7-1)27-15-16-29-23-30(18-17-28(29)22-27)41-35-11-5-3-9-31(35)32-19-20-34-38(37(32)41)43-39-33-10-4-6-12-36(33)42-40(34)39;1-2-13-25-22(9-1)10-8-16-26(25)23-11-7-12-24(21-23)37-31-17-5-3-14-27(31)28-19-20-30-34(33(28)37)39-35-29-15-4-6-18-32(29)38-36(30)35;1-2-8-19-15-20(14-13-18(19)7-1)31-25-11-5-3-9-21(25)23-16-24-28(17-26(23)31)33-29-22-10-4-6-12-27(22)32-30(24)29;1-2-8-19-17-20(14-13-18(19)7-1)31-24-11-5-3-9-21(24)27-25(31)16-15-23-28(27)33-29-22-10-4-6-12-26(22)32-30(23)29/h1-23H;1-21H;2*1-17H.

What are the key properties of 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene?

9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene has a molecular weight of 2024.68 g/mol, XLogP of 42.57, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-2-yl-15,23-dithia-9-azahexacyclo[11.10.0.02,10.03,8.014,22.016,21]tricosa-1(13),2(10),3,5,7,11,14(22),16,18,20-decaene;10-naphthalen-2-yl-14,22-dithia-10-azahexacyclo[11.10.0.03,11.04,9.015,23.016,21]tricosa-1(13),2,4,6,8,11,15(23),16,18,20-decaene;3-(6-naphthalen-2-ylnaphthalen-2-yl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene;3-(3-naphthalen-1-ylphenyl)-15,23-dithia-3-azahexacyclo[11.10.0.02,10.04,9.014,22.016,21]tricosa-1(13),2(10),4,6,8,11,14(22),16,18,20-decaene is sourced from PubChem (CID 162177194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).