30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene

C166H92N4S4 — CID 160801968

About 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene

30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene (PubChem CID 160801968) has the molecular formula C166H92N4S4 and a molecular weight of 2270.86 g/mol. Its IUPAC name is 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene.

Molecular Properties

• Compound Name: 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
• PubChem CID: 160801968
• Molecular Formula: C166H92N4S4
• Molecular Weight: 2270.86 g/mol
• Exact Mass: 2268.62
• IUPAC Name: 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
• SMILES: c1ccc(-c2ccc(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)cc2)cc1.c1ccc(-n2c3ccccc3c3c4cccc5c6cccc7c8c(cc(c(cc32)c54)c67)sc2ccccc28)cc1.c1ccc2c(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)ccc2c1
• InChI: InChI=1S/C44H25NS.2C42H23NS.C38H21NS/c1-2-10-26(11-3-1)27-20-22-28(23-21-27)45-37-18-6-4-12-31(37)43-33-16-8-14-29-30-15-9-17-34-42(30)36(35(41(29)33)24-38(43)45)25-40-44(34)32-13-5-7-19-39(32)46-40;1-2-12-25-24(10-1)11-7-20-34(25)43-35-19-5-3-13-28(35)41-30-17-8-15-26-27-16-9-18-31-40(27)33(32(39(26)30)22-36(41)43)23-38-42(31)29-14-4-6-21-37(29)44-38;1-2-10-25-21-26(20-19-24(25)9-1)43-35-17-5-3-11-29(35)41-31-15-7-13-27-28-14-8-16-32-40(28)34(33(39(27)31)22-36(41)43)23-38-42(32)30-12-4-6-18-37(30)44-38;1-2-10-22(11-3-1)39-31-18-6-4-12-25(31)37-27-16-8-14-23-24-15-9-17-28-36(24)30(29(35(23)27)20-32(37)39)21-34-38(28)26-13-5-7-19-33(26)40-34/h1-25H;2*1-23H;1-21H
• InChIKey: SDEOHYWXVDKIRC-UHFFFAOYSA-N
• XLogP: 48.78
• TPSA: 19.72 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2270.86
LogP ≤ 5	48.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?

The IUPAC name of 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene (CID 160801968) is 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene.

What is the SMILES notation for 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?

The canonical SMILES for 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene is c1ccc(-c2ccc(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)cc2)cc1.c1ccc(-n2c3ccccc3c3c4cccc5c6cccc7c8c(cc(c(cc32)c54)c67)sc2ccccc28)cc1.c1ccc2c(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)cccc2c1.c1ccc2cc(-n3c4ccccc4c4c5cccc6c7cccc8c9c(cc(c(cc43)c65)c78)sc3ccccc39)ccc2c1.

What is the InChIKey of 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?

The InChIKey is SDEOHYWXVDKIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25NS.2C42H23NS.C38H21NS/c1-2-10-26(11-3-1)27-20-22-28(23-21-27)45-37-18-6-4-12-31(37)43-33-16-8-14-29-30-15-9-17-34-42(30)36(35(41(29)33)24-38(43)45)25-40-44(34)32-13-5-7-19-39(32)46-40;1-2-12-25-24(10-1)11-7-20-34(25)43-35-19-5-3-13-28(35)41-30-17-8-15-26-27-16-9-18-31-40(27)33(32(39(26)30)22-36(41)43)23-38-42(31)29-14-4-6-21-37(29)44-38;1-2-10-25-21-26(20-19-24(25)9-1)43-35-17-5-3-11-29(35)41-31-15-7-13-27-28-14-8-16-32-40(28)34(33(39(27)31)22-36(41)43)23-38-42(32)30-12-4-6-18-37(30)44-38;1-2-10-22(11-3-1)39-31-18-6-4-12-25(31)37-27-16-8-14-23-24-15-9-17-28-36(24)30(29(35(23)27)20-32(37)39)21-34-38(28)26-13-5-7-19-33(26)40-34/h1-25H;2*1-23H;1-21H.

What are the key properties of 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?

30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene has a molecular weight of 2270.86 g/mol, XLogP of 48.78, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 30-naphthalen-1-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-naphthalen-2-yl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-(4-phenylphenyl)-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene;30-phenyl-5-thia-30-azanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene is sourced from PubChem (CID 160801968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).