12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

C150H89N11S4 — CID 162178366

About 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene

12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (PubChem CID 162178366) has the molecular formula C150H89N11S4 and a molecular weight of 2173.71 g/mol. Its IUPAC name is 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

Molecular Properties

• Compound Name: 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• PubChem CID: 162178366
• Molecular Formula: C150H89N11S4
• Molecular Weight: 2173.71 g/mol
• Exact Mass: 2171.62
• IUPAC Name: 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
• SMILES: c1ccc(-c2cc(-n3c4ccc5ccccc5c4c4c5sc6ccccc6c5ccc43)cc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-n3c4ccc5c6ccccc6sc5c4c4c5ccccc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-n4c5c6ccccc6ccc5c5c6sc7ccccc7c6c6ccccc6c54)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)cc1
• InChI: InChI=1S/C45H27N3S.C40H23N3S.C37H22N4S.C28H17NS/c1-2-13-30(14-3-1)47-38-20-10-9-19-37(38)46-45(47)29-22-25-31(26-23-29)48-42-32-15-5-4-12-28(32)24-27-36(42)41-43(48)34-17-7-6-16-33(34)40-35-18-8-11-21-39(35)49-44(40)41;1-2-12-24(13-3-1)37-31-19-8-10-20-32(31)41-40(42-37)43-33-23-22-30-27-16-9-11-21-34(27)44-39(30)36(33)35-28-17-6-4-14-25(28)26-15-5-7-18-29(26)38(35)43;1-2-10-25-23(9-1)15-17-32-35(25)36-33(18-16-27-26-11-3-4-14-34(26)42-37(27)36)41(32)24-21-30(28-12-5-7-19-38-28)40-31(22-24)29-13-6-8-20-39-29;1-2-10-18(11-3-1)29-23-16-8-6-14-21(23)25-19-12-4-5-13-20(19)26-22-15-7-9-17-24(22)30-28(26)27(25)29/h1-27H;1-23H;1-22H;1-17H
• InChIKey: ZORQCIWZAPYFJA-UHFFFAOYSA-N
• XLogP: 41.66
• TPSA: 101.99 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.71
LogP ≤ 5	41.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The IUPAC name of 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene (CID 162178366) is 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene.

What is the SMILES notation for 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The canonical SMILES for 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is c1ccc(-c2cc(-n3c4ccc5ccccc5c4c4c5sc6ccccc6c5ccc43)cc(-c3ccccn3)n2)nc1.c1ccc(-c2nc(-n3c4ccc5c6ccccc6sc5c4c4c5ccccc5c5ccccc5c43)nc3ccccc23)cc1.c1ccc(-n2c(-c3ccc(-n4c5c6ccccc6ccc5c5c6sc7ccccc7c6c6ccccc6c54)cc3)nc3ccccc32)cc1.c1ccc(-n2c3ccccc3c3c4ccccc4c4c5ccccc5sc4c32)cc1.

What is the InChIKey of 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

The InChIKey is ZORQCIWZAPYFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S.C40H23N3S.C37H22N4S.C28H17NS/c1-2-13-30(14-3-1)47-38-20-10-9-19-37(38)46-45(47)29-22-25-31(26-23-29)48-42-32-15-5-4-12-28(32)24-27-36(42)41-43(48)34-17-7-6-16-33(34)40-35-18-8-11-21-39(35)49-44(40)41;1-2-12-24(13-3-1)37-31-19-8-10-20-32(31)41-40(42-37)43-33-23-22-30-27-16-9-11-21-34(27)44-39(30)36(33)35-28-17-6-4-14-25(28)26-15-5-7-18-29(26)38(35)43;1-2-10-25-23(9-1)15-17-32-35(25)36-33(18-16-27-26-11-3-4-14-34(26)42-37(27)36)41(32)24-21-30(28-12-5-7-19-38-28)40-31(22-24)29-13-6-8-20-39-29;1-2-10-18(11-3-1)29-23-16-8-6-14-21(23)25-19-12-4-5-13-20(19)26-22-15-7-9-17-24(22)30-28(26)27(25)29/h1-27H;1-23H;1-22H;1-17H.

What are the key properties of 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene?

12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene has a molecular weight of 2173.71 g/mol, XLogP of 41.66, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 12-(2,6-dipyridin-2-yl-4-pyridinyl)-23-thia-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(13),2(11),3,5,7,9,14,16(24),17,19,21-undecaene;18-[4-(1-phenylbenzimidazol-2-yl)phenyl]-3-thia-18-azaheptacyclo[15.11.0.02,10.04,9.011,16.019,28.020,25]octacosa-1(17),2(10),4,6,8,11,13,15,19(28),20,22,24,26-tridecaene;15-(4-phenylquinazolin-2-yl)-4-thia-15-azaheptacyclo[14.12.0.02,14.03,11.05,10.017,22.023,28]octacosa-1(16),2(14),3(11),5,7,9,12,17,19,21,23,25,27-tridecaene;24-phenyl-3-thia-24-azahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene is sourced from PubChem (CID 162178366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).