7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene

C126H84N8O2 — CID 163579665

About 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene

7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene (PubChem CID 163579665) has the molecular formula C126H84N8O2 and a molecular weight of 1742.11 g/mol. Its IUPAC name is 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene.

Molecular Properties

• Compound Name: 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
• PubChem CID: 163579665
• Molecular Formula: C126H84N8O2
• Molecular Weight: 1742.11 g/mol
• Exact Mass: 1740.67
• IUPAC Name: 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene
• SMILES: C1=CC2C(c3ccccc3N2c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2c1oc1c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cccc21.C1=CC2C(c3ccccc3N2c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2c1oc1c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cccc21
• InChI: InChI=1S/2C63H42N4O/c1-4-15-41(16-5-1)44-29-31-46(32-30-44)61-64-62(50-24-13-23-49(40-50)43-19-8-3-9-20-43)66-63(65-61)54-27-14-26-53-59-57(68-60(53)54)38-37-56-58(59)52-25-10-11-28-55(52)67(56)51-35-33-45(34-36-51)48-22-12-21-47(39-48)42-17-6-2-7-18-42;1-4-14-41(15-5-1)44-26-30-47(31-27-44)61-64-62(48-32-28-45(29-33-48)42-16-6-2-7-17-42)66-63(65-61)54-24-13-23-53-59-57(68-60(53)54)39-38-56-58(59)52-22-10-11-25-55(52)67(56)51-36-34-46(35-37-51)50-21-12-20-49(40-50)43-18-8-3-9-19-43/h2*1-40,56,58H
• InChIKey: GGLLNSFLGYJAMR-UHFFFAOYSA-N
• XLogP: 31.93
• TPSA: 110.10 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1742.11
LogP ≤ 5	31.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

The IUPAC name of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene (CID 163579665) is 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene.

What is the SMILES notation for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

The canonical SMILES for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene is C1=CC2C(c3ccccc3N2c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2c1oc1c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)cccc21.C1=CC2C(c3ccccc3N2c2ccc(-c3cccc(-c4ccccc4)c3)cc2)c2c1oc1c(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccccc5)c4)n3)cccc21.

What is the InChIKey of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

The InChIKey is GGLLNSFLGYJAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H42N4O/c1-4-15-41(16-5-1)44-29-31-46(32-30-44)61-64-62(50-24-13-23-49(40-50)43-19-8-3-9-20-43)66-63(65-61)54-27-14-26-53-59-57(68-60(53)54)38-37-56-58(59)52-25-10-11-28-55(52)67(56)51-35-33-45(34-36-51)48-22-12-21-47(39-48)42-17-6-2-7-18-42;1-4-14-41(15-5-1)44-26-30-47(31-27-44)61-64-62(48-32-28-45(29-33-48)42-16-6-2-7-17-42)66-63(65-61)54-24-13-23-53-59-57(68-60(53)54)39-38-56-58(59)52-22-10-11-25-55(52)67(56)51-36-34-46(35-37-51)50-21-12-20-49(40-50)43-18-8-3-9-19-43/h2*1-40,56,58H.

What are the key properties of 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene?

7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene has a molecular weight of 1742.11 g/mol, XLogP of 31.93, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-[4-(3-phenylphenyl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene;14-[4-(3-phenylphenyl)phenyl]-7-[4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3(8),4,6,11,15,17,19-octaene is sourced from PubChem (CID 163579665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).