2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

C129H81N9O3 — CID 163675619

About 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine

2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 163675619) has the molecular formula C129H81N9O3 and a molecular weight of 1805.13 g/mol. Its IUPAC name is 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• PubChem CID: 163675619
• Molecular Formula: C129H81N9O3
• Molecular Weight: 1805.13 g/mol
• Exact Mass: 1803.65
• IUPAC Name: 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4Oc4ccccc4-5)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4Oc4ccccc4-5)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4Oc4ccccc4-5)c3)n2)cc1
• InChI: InChI=1S/3C43H27N3O/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)31-18-11-17-30(27-31)32-25-26-37-34-20-8-10-24-39(34)47-38-23-9-7-19-33(38)36-22-12-21-35(32)40(36)37;1-3-13-28(14-4-1)30-17-11-18-31(27-30)42-44-41(29-15-5-2-6-16-29)45-43(46-42)37-26-25-36-33-20-8-10-24-39(33)47-38-23-9-7-19-32(38)34-21-12-22-35(37)40(34)36;1-3-12-28(13-4-1)29-22-24-31(25-23-29)42-44-41(30-14-5-2-6-15-30)45-43(46-42)37-27-26-36-33-17-8-10-21-39(33)47-38-20-9-7-16-32(38)34-18-11-19-35(37)40(34)36/h3*1-27H
• InChIKey: JGLJLQABTNTMML-UHFFFAOYSA-N
• XLogP: 33.40
• TPSA: 143.70 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1805.13
LogP ≤ 5	33.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The IUPAC name of 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine (CID 163675619) is 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine.

What is the SMILES notation for 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The canonical SMILES for 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4Oc4ccccc4-5)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc5c6c(cccc46)-c4ccccc4Oc4ccccc4-5)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc5c6c(cccc46)-c4ccccc4Oc4ccccc4-5)c3)n2)cc1.

What is the InChIKey of 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

The InChIKey is JGLJLQABTNTMML-UHFFFAOYSA-N. The full InChI is InChI=1S/3C43H27N3O/c1-3-13-28(14-4-1)41-44-42(29-15-5-2-6-16-29)46-43(45-41)31-18-11-17-30(27-31)32-25-26-37-34-20-8-10-24-39(34)47-38-23-9-7-19-33(38)36-22-12-21-35(32)40(36)37;1-3-13-28(14-4-1)30-17-11-18-31(27-30)42-44-41(29-15-5-2-6-16-29)45-43(46-42)37-26-25-36-33-20-8-10-24-39(33)47-38-23-9-7-19-32(38)34-21-12-22-35(37)40(34)36;1-3-12-28(13-4-1)29-22-24-31(25-23-29)42-44-41(30-14-5-2-6-15-30)45-43(46-42)37-27-26-36-33-17-8-10-21-39(33)47-38-20-9-7-16-32(38)34-18-11-19-35(37)40(34)36/h3*1-27H.

What are the key properties of 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine?

2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 1805.13 g/mol, XLogP of 33.40, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-(8-oxapentacyclo[13.7.1.02,7.09,14.019,23]tricosa-1(22),2,4,6,9,11,13,15(23),16,18,20-undecaen-18-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 163675619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).