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

C88H58N10O2 — CID 163688948

About 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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 163688948) has the molecular formula C88H58N10O2 and a molecular weight of 1287.50 g/mol. Its IUPAC name is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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: 163688948
• Molecular Formula: C88H58N10O2
• Molecular Weight: 1287.50 g/mol
• Exact Mass: 1286.47
• IUPAC Name: 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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(c3ccccc3N2c2ccccc2)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccnc3)cc21.C1=CC2C(c3ccccc3N2c2ccccc2)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-c3ccncc3)c21
• InChI: InChI=1S/2C44H29N5O/c1-4-13-28(14-5-1)42-46-43(29-15-6-2-7-16-29)48-44(47-42)35-26-31(30-17-12-24-45-27-30)25-34-40-38(50-41(34)35)23-22-37-39(40)33-20-10-11-21-36(33)49(37)32-18-8-3-9-19-32;1-4-12-29(13-5-1)42-46-43(30-14-6-2-7-15-30)48-44(47-42)34-21-20-32(28-24-26-45-27-25-28)39-40-37(50-41(34)39)23-22-36-38(40)33-18-10-11-19-35(33)49(36)31-16-8-3-9-17-31/h1-27,37,39H;1-27,36,38H
• InChIKey: JRHWZWJRZYNDBV-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 135.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1287.50
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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 163688948) is 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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(c3ccccc3N2c2ccccc2)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3cccnc3)cc21.C1=CC2C(c3ccccc3N2c2ccccc2)c2c1oc1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc(-c3ccncc3)c21.

What is the InChIKey of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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 JRHWZWJRZYNDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H29N5O/c1-4-13-28(14-5-1)42-46-43(29-15-6-2-7-16-29)48-44(47-42)35-26-31(30-17-12-24-45-27-30)25-34-40-38(50-41(34)35)23-22-37-39(40)33-20-10-11-21-36(33)49(37)32-18-8-3-9-19-32;1-4-12-29(13-5-1)42-46-43(30-14-6-2-7-15-30)48-44(47-42)34-21-20-32(28-24-26-45-27-25-28)39-40-37(50-41(34)39)23-22-36-38(40)33-18-10-11-19-35(33)49(36)31-16-8-3-9-17-31/h1-27,37,39H;1-27,36,38H.

What are the key properties of 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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 1287.50 g/mol, XLogP of 20.72, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-4-pyridin-4-yl-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-2(10),3,5,7,11,15,17,19-octaene;7-(4,6-diphenyl-1,3,5-triazin-2-yl)-14-phenyl-5-pyridin-3-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 163688948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).