3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine

C112H82N6O — CID 159754343

About 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine

3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine (PubChem CID 159754343) has the molecular formula C112H82N6O and a molecular weight of 1527.93 g/mol. Its IUPAC name is 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine.

Molecular Properties

• Compound Name: 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine
• PubChem CID: 159754343
• Molecular Formula: C112H82N6O
• Molecular Weight: 1527.93 g/mol
• Exact Mass: 1526.66
• IUPAC Name: 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine
• SMILES: CC1(C)C2=C(c3ccccc3-c3ccc(-c4ccccn4)cc31)C(C)(C)c1cc(-c3ccccn3)c3ccccc3c12.CC1(C)C2=C(c3ccccc3N(c3ccc(-c4ccccn4)c4ccccc34)c3nc4ccccc4cc32)c2ccccc21.CC1(c2ccccn2)C2=C(Oc3ccc4ccccc4c3-c3ccccc32)c2ccccc21
• InChI: InChI=1S/C41H29N3.C40H32N2.C31H21NO/c1-41(2)33-18-8-6-16-30(33)38-31-17-7-10-21-36(31)44(40-32(39(38)41)25-26-13-3-9-19-34(26)43-40)37-23-22-28(35-20-11-12-24-42-35)27-14-4-5-15-29(27)37;1-39(2)32-23-25(34-17-9-11-21-41-34)19-20-28(32)26-13-6-8-16-30(26)37-38(39)36-29-15-7-5-14-27(29)31(24-33(36)40(37,3)4)35-18-10-12-22-42-35;1-31(27-16-8-9-19-32-27)25-15-7-6-14-24(25)30-29(31)23-13-5-4-12-22(23)28-21-11-3-2-10-20(21)17-18-26(28)33-30/h3-25H,1-2H3;5-24H,1-4H3;2-19H,1H3
• InChIKey: NEBFDYKRYJCZCZ-UHFFFAOYSA-N
• XLogP: 28.09
• TPSA: 76.92 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1527.93
LogP ≤ 5	28.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine?

The IUPAC name of 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine (CID 159754343) is 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine.

What is the SMILES notation for 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine?

The canonical SMILES for 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine is CC1(C)C2=C(c3ccccc3-c3ccc(-c4ccccn4)cc31)C(C)(C)c1cc(-c3ccccn3)c3ccccc3c12.CC1(C)C2=C(c3ccccc3N(c3ccc(-c4ccccn4)c4ccccc34)c3nc4ccccc4cc32)c2ccccc21.CC1(c2ccccn2)C2=C(Oc3ccc4ccccc4c3-c3ccccc32)c2ccccc21.

What is the InChIKey of 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine?

The InChIKey is NEBFDYKRYJCZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H29N3.C40H32N2.C31H21NO/c1-41(2)33-18-8-6-16-30(33)38-31-17-7-10-21-36(31)44(40-32(39(38)41)25-26-13-3-9-19-34(26)43-40)37-23-22-28(35-20-11-12-24-42-35)27-14-4-5-15-29(27)37;1-39(2)32-23-25(34-17-9-11-21-41-34)19-20-28(32)26-13-6-8-16-30(26)37-38(39)36-29-15-7-5-14-27(29)31(24-33(36)40(37,3)4)35-18-10-12-22-42-35;1-31(27-16-8-9-19-32-27)25-15-7-6-14-24(25)30-29(31)23-13-5-4-12-22(23)28-21-11-3-2-10-20(21)17-18-26(28)33-30/h3-25H,1-2H3;5-24H,1-4H3;2-19H,1H3.

What are the key properties of 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine?

3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine has a molecular weight of 1527.93 g/mol, XLogP of 28.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-17-(4-pyridin-2-ylnaphthalen-1-yl)-17,19-diazahexacyclo[16.8.0.02,10.04,9.011,16.020,25]hexacosa-1(26),2(10),4,6,8,11,13,15,18,20,22,24-dodecaene;2-(9-methyl-17-oxahexacyclo[16.8.0.02,7.08,16.010,15.021,26]hexacosa-1(18),2,4,6,8(16),10,12,14,19,21,23,25-dodecaen-9-yl)pyridine;2-(14,14,26,26-tetramethyl-11-pyridin-2-yl-23-hexacyclo[13.11.0.02,7.08,13.016,25.017,22]hexacosa-1(15),2,4,6,8(13),9,11,16(25),17,19,21,23-dodecaenyl)pyridine is sourced from PubChem (CID 159754343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).