5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine

C163H98N10O4 — CID 157156289

About 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine

5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine (PubChem CID 157156289) has the molecular formula C163H98N10O4 and a molecular weight of 2260.64 g/mol. Its IUPAC name is 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine.

Molecular Properties

• Compound Name: 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine
• PubChem CID: 157156289
• Molecular Formula: C163H98N10O4
• Molecular Weight: 2260.64 g/mol
• Exact Mass: 2258.78
• IUPAC Name: 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine
• SMILES: N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc3)ccc1n2-c1ccccc1.c1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc3)c2)nc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc3)c2)c1
• InChI: InChI=1S/C44H25N3O.C42H26N2O.C41H25N3O.C36H22N2O/c45-25-27-14-18-40-35(20-27)36-21-30(16-19-41(36)47(40)33-11-2-1-3-12-33)32-15-17-39(46-26-32)37-23-31-10-6-7-13-34(31)43-38-22-28-8-4-5-9-29(28)24-42(38)48-44(37)43;1-3-11-27(12-4-1)38-23-33(24-39(44-38)28-13-5-2-6-14-28)32-19-20-37(43-26-32)35-22-31-17-9-10-18-34(31)41-36-21-29-15-7-8-16-30(29)25-40(36)45-42(35)41;1-2-8-27-22-39-37(20-26(27)7-1)40-35-12-4-3-9-28(35)21-36(41(40)45-39)38-14-13-31(25-44-38)34-18-32(29-10-5-15-42-23-29)17-33(19-34)30-11-6-16-43-24-30;1-2-9-25-21-34-31(19-24(25)8-1)35-29-13-4-3-10-26(29)20-30(36(35)39-34)33-16-15-28(22-38-33)23-11-7-12-27(18-23)32-14-5-6-17-37-32/h1-24,26H;1-26H;1-25H;1-22H
• InChIKey: ALVQIQYTOIBOOB-UHFFFAOYSA-N
• XLogP: 43.37
• TPSA: 184.40 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2260.64
LogP ≤ 5	43.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine?

The IUPAC name of 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine (CID 157156289) is 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine.

What is the SMILES notation for 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine?

The canonical SMILES for 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine is N#Cc1ccc2c(c1)c1cc(-c3ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc3)ccc1n2-c1ccccc1.c1ccc(-c2cc(-c3ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc3)cc(-c3ccccc3)n2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc3)c2)nc1.c1cncc(-c2cc(-c3cccnc3)cc(-c3ccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)nc3)c2)c1.

What is the InChIKey of 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine?

The InChIKey is ALVQIQYTOIBOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H25N3O.C42H26N2O.C41H25N3O.C36H22N2O/c45-25-27-14-18-40-35(20-27)36-21-30(16-19-41(36)47(40)33-11-2-1-3-12-33)32-15-17-39(46-26-32)37-23-31-10-6-7-13-34(31)43-38-22-28-8-4-5-9-29(28)24-42(38)48-44(37)43;1-3-11-27(12-4-1)38-23-33(24-39(44-38)28-13-5-2-6-14-28)32-19-20-37(43-26-32)35-22-31-17-9-10-18-34(31)41-36-21-29-15-7-8-16-30(29)25-40(36)45-42(35)41;1-2-8-27-22-39-37(20-26(27)7-1)40-35-12-4-3-9-28(35)21-36(41(40)45-39)38-14-13-31(25-44-38)34-18-32(29-10-5-15-42-23-29)17-33(19-34)30-11-6-16-43-24-30;1-2-9-25-21-34-31(19-24(25)8-1)35-29-13-4-3-10-26(29)20-30(36(35)39-34)33-16-15-28(22-38-33)23-11-7-12-27(18-23)32-14-5-6-17-37-32/h1-24,26H;1-26H;1-25H;1-22H.

What are the key properties of 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine?

5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine has a molecular weight of 2260.64 g/mol, XLogP of 43.37, 14 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dipyridin-3-ylphenyl)-2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)pyridine;4-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-2,6-diphenylpyridine;6-[6-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-3-pyridinyl]-9-phenylcarbazole-3-carbonitrile;2-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-5-(3-pyridin-2-ylphenyl)pyridine is sourced from PubChem (CID 157156289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).