9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene

C113H68N8 — CID 161494317

About 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene

9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene (PubChem CID 161494317) has the molecular formula C113H68N8 and a molecular weight of 1537.84 g/mol. Its IUPAC name is 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene.

Molecular Properties

• Compound Name: 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
• PubChem CID: 161494317
• Molecular Formula: C113H68N8
• Molecular Weight: 1537.84 g/mol
• Exact Mass: 1536.56
• IUPAC Name: 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3c4ccc5ccc(-c6ccc(-c7cccnc7)nc6)c6ccc(cc32)c4c56)cc1.c1ccc(-n2c3ccccc3c3c4ccc5ccc(-c6ccc(-c7cnc8ccccc8c7)nc6)c6ccc(cc32)c4c56)cc1.c1ccc(-n2c3ccccc3c3c4ccc5ccc(-c6cccnc6)c6ccc(cc32)c4c56)cc1
• InChI: InChI=1S/C42H25N3.C38H23N3.C33H20N2/c1-2-9-31(10-3-1)45-38-13-7-5-11-34(38)42-35-20-15-26-14-18-32(33-19-16-28(23-39(42)45)41(35)40(26)33)29-17-21-37(43-24-29)30-22-27-8-4-6-12-36(27)44-25-30;1-2-8-28(9-3-1)41-34-11-5-4-10-31(34)38-32-18-13-24-12-16-29(30-17-14-25(21-35(38)41)37(32)36(24)30)26-15-19-33(40-23-26)27-7-6-20-39-22-27;1-2-8-24(9-3-1)35-29-11-5-4-10-27(29)33-28-17-13-21-12-15-25(23-7-6-18-34-20-23)26-16-14-22(19-30(33)35)32(28)31(21)26/h1-25H;1-23H;1-20H
• InChIKey: WFZQCZGONWGYTH-UHFFFAOYSA-N
• XLogP: 29.51
• TPSA: 79.24 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1537.84
LogP ≤ 5	29.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene?

The IUPAC name of 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene (CID 161494317) is 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene.

What is the SMILES notation for 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene?

The canonical SMILES for 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene is c1ccc(-n2c3ccccc3c3c4ccc5ccc(-c6ccc(-c7cccnc7)nc6)c6ccc(cc32)c4c56)cc1.c1ccc(-n2c3ccccc3c3c4ccc5ccc(-c6ccc(-c7cnc8ccccc8c7)nc6)c6ccc(cc32)c4c56)cc1.c1ccc(-n2c3ccccc3c3c4ccc5ccc(-c6cccnc6)c6ccc(cc32)c4c56)cc1.

What is the InChIKey of 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene?

The InChIKey is WFZQCZGONWGYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3.C38H23N3.C33H20N2/c1-2-9-31(10-3-1)45-38-13-7-5-11-34(38)42-35-20-15-26-14-18-32(33-19-16-28(23-39(42)45)41(35)40(26)33)29-17-21-37(43-24-29)30-22-27-8-4-6-12-36(27)44-25-30;1-2-8-28(9-3-1)41-34-11-5-4-10-31(34)38-32-18-13-24-12-16-29(30-17-14-25(21-35(38)41)37(32)36(24)30)26-15-19-33(40-23-26)27-7-6-20-39-22-27;1-2-8-24(9-3-1)35-29-11-5-4-10-27(29)33-28-17-13-21-12-15-25(23-7-6-18-34-20-23)26-16-14-22(19-30(33)35)32(28)31(21)26/h1-25H;1-23H;1-20H.

What are the key properties of 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene?

9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene has a molecular weight of 1537.84 g/mol, XLogP of 29.51, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-16-pyridin-3-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-pyridin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene;9-phenyl-16-(6-quinolin-3-yl-3-pyridinyl)-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15,17,19(23),20-undecaene is sourced from PubChem (CID 161494317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).