2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine

C115H77N3O3 — CID 167626647

About 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine

2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine (PubChem CID 167626647) has the molecular formula C115H77N3O3 and a molecular weight of 1548.90 g/mol. Its IUPAC name is 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine.

Molecular Properties

• Compound Name: 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine
• PubChem CID: 167626647
• Molecular Formula: C115H77N3O3
• Molecular Weight: 1548.90 g/mol
• Exact Mass: 1547.60
• IUPAC Name: 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine
• SMILES: C1=CC(c2cc(-c3ccc4c5c(cccc35)-c3ccccc3O4)cc(-c3cccc(-c4ccccc4)c3)n2)=CCC1.Cc1ccc(-c2cc(-c3ccc4c5c(cccc35)-c3ccccc3O4)cc(-c3ccc(C)cc3)n2)cc1.c1ccc2c(c1)Oc1ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)c3)c3cccc-2c13
• InChI: InChI=1S/C41H25NO.C39H27NO.C35H25NO/c1-3-10-28-22-30(18-16-26(28)8-1)37-24-32(25-38(42-37)31-19-17-27-9-2-4-11-29(27)23-31)33-20-21-40-41-35(33)13-7-14-36(41)34-12-5-6-15-39(34)43-40;1-3-11-26(12-4-1)28-15-9-16-29(23-28)36-25-30(24-35(40-36)27-13-5-2-6-14-27)31-21-22-38-39-33(31)18-10-19-34(39)32-17-7-8-20-37(32)41-38;1-22-10-14-24(15-11-22)31-20-26(21-32(36-31)25-16-12-23(2)13-17-25)27-18-19-34-35-29(27)7-5-8-30(35)28-6-3-4-9-33(28)37-34/h1-25H;1,3-5,7-25H,2,6H2;3-21H,1-2H3
• InChIKey: NESUMYSOPBHTSY-UHFFFAOYSA-N
• XLogP: 31.68
• TPSA: 66.36 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1548.90
LogP ≤ 5	31.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine?

The IUPAC name of 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine (CID 167626647) is 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine.

What is the SMILES notation for 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine?

The canonical SMILES for 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine is C1=CC(c2cc(-c3ccc4c5c(cccc35)-c3ccccc3O4)cc(-c3cccc(-c4ccccc4)c3)n2)=CCC1.Cc1ccc(-c2cc(-c3ccc4c5c(cccc35)-c3ccccc3O4)cc(-c3ccc(C)cc3)n2)cc1.c1ccc2c(c1)Oc1ccc(-c3cc(-c4ccc5ccccc5c4)nc(-c4ccc5ccccc5c4)c3)c3cccc-2c13.

What is the InChIKey of 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine?

The InChIKey is NESUMYSOPBHTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25NO.C39H27NO.C35H25NO/c1-3-10-28-22-30(18-16-26(28)8-1)37-24-32(25-38(42-37)31-19-17-27-9-2-4-11-29(27)23-31)33-20-21-40-41-35(33)13-7-14-36(41)34-12-5-6-15-39(34)43-40;1-3-11-26(12-4-1)28-15-9-16-29(23-28)36-25-30(24-35(40-36)27-13-5-2-6-14-27)31-21-22-38-39-33(31)18-10-19-34(39)32-17-7-8-20-37(32)41-38;1-22-10-14-24(15-11-22)31-20-26(21-32(36-31)25-16-12-23(2)13-17-25)27-18-19-34-35-29(27)7-5-8-30(35)28-6-3-4-9-33(28)37-34/h1-25H;1,3-5,7-25H,2,6H2;3-21H,1-2H3.

What are the key properties of 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine?

2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine has a molecular weight of 1548.90 g/mol, XLogP of 31.68, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-bis(4-methylphenyl)-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine;2-cyclohexa-1,5-dien-1-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)-6-(3-phenylphenyl)pyridine;2,6-dinaphthalen-2-yl-4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)pyridine is sourced from PubChem (CID 167626647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).