32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene

C148H84N12S4 — CID 162012477

About 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene

32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene (PubChem CID 162012477) has the molecular formula C148H84N12S4 and a molecular weight of 2158.65 g/mol. Its IUPAC name is 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene.

Molecular Properties

• Compound Name: 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene
• PubChem CID: 162012477
• Molecular Formula: C148H84N12S4
• Molecular Weight: 2158.65 g/mol
• Exact Mass: 2156.58
• IUPAC Name: 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4c(ccc32)c2c3c(ccc2n2c5ccccc5nc42)sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c2c3sc5ccccc5c3ccc2n2c3ccccc3nc42)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3c(ccc2n2c5ccccc5nc42)sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3sc5ccccc5c3ccc2n2c3ccccc3nc42)cc1
• InChI: InChI=1S/4C37H21N3S/c1-2-10-22(11-3-1)39-28-15-7-4-13-25(28)33-30(39)21-19-26-34-31(20-18-24-23-12-5-9-17-32(23)41-36(24)34)40-29-16-8-6-14-27(29)38-37(40)35(26)33;1-2-10-22(11-3-1)39-29-15-7-4-12-23(29)25-20-27-26(21-32(25)39)35-31(40-30-16-8-6-14-28(30)38-37(27)40)18-19-34-36(35)24-13-5-9-17-33(24)41-34;1-2-10-22(11-3-1)39-30-15-7-4-12-23(30)26-20-28-27(21-33(26)39)35-32(40-31-16-8-6-14-29(31)38-37(28)40)19-18-25-24-13-5-9-17-34(24)41-36(25)35;1-2-10-22(11-3-1)39-27-15-7-4-12-23(27)33-29(39)19-18-25-34-30(20-21-32-35(34)24-13-5-9-17-31(24)41-32)40-28-16-8-6-14-26(28)38-37(40)36(25)33/h4*1-21H
• InChIKey: YTQSYSINEWWFDT-UHFFFAOYSA-N
• XLogP: 41.04
• TPSA: 88.92 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.65
LogP ≤ 5	41.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene?

The IUPAC name of 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene (CID 162012477) is 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene.

What is the SMILES notation for 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene?

The canonical SMILES for 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene is c1ccc(-n2c3ccccc3c3c4c(ccc32)c2c3c(ccc2n2c5ccccc5nc42)sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3c4c(ccc32)c2c3sc5ccccc5c3ccc2n2c3ccccc3nc42)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3c(ccc2n2c5ccccc5nc42)sc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3cc4c(cc32)c2c3sc5ccccc5c3ccc2n2c3ccccc3nc42)cc1.

What is the InChIKey of 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene?

The InChIKey is YTQSYSINEWWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C37H21N3S/c1-2-10-22(11-3-1)39-28-15-7-4-13-25(28)33-30(39)21-19-26-34-31(20-18-24-23-12-5-9-17-32(23)41-36(24)34)40-29-16-8-6-14-27(29)38-37(40)35(26)33;1-2-10-22(11-3-1)39-29-15-7-4-12-23(29)25-20-27-26(21-32(25)39)35-31(40-30-16-8-6-14-28(30)38-37(27)40)18-19-34-36(35)24-13-5-9-17-33(24)41-34;1-2-10-22(11-3-1)39-30-15-7-4-12-23(30)26-20-28-27(21-33(26)39)35-32(40-31-16-8-6-14-29(31)38-37(28)40)19-18-25-24-13-5-9-17-34(24)41-36(25)35;1-2-10-22(11-3-1)39-27-15-7-4-12-23(27)33-29(39)19-18-25-34-30(20-21-32-35(34)24-13-5-9-17-31(24)41-32)40-28-16-8-6-14-26(28)38-37(40)36(25)33/h4*1-21H.

What are the key properties of 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene?

32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene has a molecular weight of 2158.65 g/mol, XLogP of 41.04, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 32-phenyl-4-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;32-phenyl-10-thia-15,22,32-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.025,33.026,31]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25(33),26,28,30,34-hexadecaene;33-phenyl-4-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.05,10.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),5,7,9,12,16,18,20,22,25,27,29,31,34-hexadecaene;33-phenyl-10-thia-15,22,33-triazanonacyclo[22.11.0.02,14.03,11.04,9.015,23.016,21.026,34.027,32]pentatriaconta-1(24),2(14),3(11),4,6,8,12,16,18,20,22,25,27,29,31,34-hexadecaene is sourced from PubChem (CID 162012477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).