2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine

C135H81N9O3 — CID 163645504

About 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine

2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 163645504) has the molecular formula C135H81N9O3 and a molecular weight of 1877.19 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 163645504
• Molecular Formula: C135H81N9O3
• Molecular Weight: 1877.19 g/mol
• Exact Mass: 1875.65
• IUPAC Name: 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3c4ccccc4cc4oc5cc6ccccc6cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4c4oc5cc6ccccc6cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4c4oc5ccc6ccccc6c5c34)n2)cc1
• InChI: InChI=1S/3C45H27N3O/c1-2-12-31(13-3-1)43-46-44(32-21-18-29(19-22-32)34-23-20-28-10-4-5-14-33(28)26-34)48-45(47-43)38-27-35-15-7-9-17-37(35)42-41(38)40-36-16-8-6-11-30(36)24-25-39(40)49-42;1-2-11-30(12-3-1)43-46-44(31-21-18-29(19-22-31)35-23-20-28-10-4-5-13-32(28)24-35)48-45(47-43)39-26-36-16-8-9-17-37(36)42-41(39)38-25-33-14-6-7-15-34(33)27-40(38)49-42;1-2-11-30(12-3-1)43-46-44(31-21-18-29(19-22-31)35-23-20-28-10-4-5-13-32(28)24-35)48-45(47-43)42-37-17-9-8-16-36(37)27-40-41(42)38-25-33-14-6-7-15-34(33)26-39(38)49-40/h3*1-27H
• InChIKey: IHWCPIJGRGFLJW-UHFFFAOYSA-N
• XLogP: 35.70
• TPSA: 155.43 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1877.19
LogP ≤ 5	35.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine (CID 163645504) is 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3c4ccccc4cc4oc5cc6ccccc6cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4c4oc5cc6ccccc6cc5c34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cc4ccccc4c4oc5ccc6ccccc6c5c34)n2)cc1.

What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is IHWCPIJGRGFLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H27N3O/c1-2-12-31(13-3-1)43-46-44(32-21-18-29(19-22-32)34-23-20-28-10-4-5-14-33(28)26-34)48-45(47-43)38-27-35-15-7-9-17-37(35)42-41(38)40-36-16-8-6-11-30(36)24-25-39(40)49-42;1-2-11-30(12-3-1)43-46-44(31-21-18-29(19-22-31)35-23-20-28-10-4-5-13-32(28)24-35)48-45(47-43)39-26-36-16-8-9-17-37(36)42-41(39)38-25-33-14-6-7-15-34(33)27-40(38)49-42;1-2-11-30(12-3-1)43-46-44(31-21-18-29(19-22-31)35-23-20-28-10-4-5-13-32(28)24-35)48-45(47-43)42-37-17-9-8-16-36(37)27-40-41(42)38-25-33-14-6-7-15-34(33)26-39(38)49-40/h3*1-27H.

What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine?

2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 1877.19 g/mol, XLogP of 35.70, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaen-21-yl)-6-phenyl-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-(12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaen-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 163645504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).