14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C120H74N14OS — CID 163471446

About 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 163471446) has the molecular formula C120H74N14OS and a molecular weight of 1760.08 g/mol. Its IUPAC name is 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 163471446
• Molecular Formula: C120H74N14OS
• Molecular Weight: 1760.08 g/mol
• Exact Mass: 1758.59
• IUPAC Name: 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1
• InChI: InChI=1S/C60H37N7O.C60H37N7S/c1-5-17-38(18-6-1)39-29-31-43(32-30-39)58-61-55(40-19-7-2-8-20-40)63-59(64-58)44-33-34-49(47(37-44)60-65-56(41-21-9-3-10-22-41)62-57(66-60)42-23-11-4-12-24-42)67-48-27-15-13-25-45(48)53-50(67)35-36-52-54(53)46-26-14-16-28-51(46)68-52;1-5-19-38(20-6-1)43-27-13-14-28-44(43)59-63-57(41-25-11-4-12-26-41)62-58(66-59)42-33-34-49(47(37-42)60-64-55(39-21-7-2-8-22-39)61-56(65-60)40-23-9-3-10-24-40)67-48-31-17-15-29-45(48)53-50(67)35-36-52-54(53)46-30-16-18-32-51(46)68-52/h2*1-37H
• InChIKey: BWVYAFMFAJRSRH-UHFFFAOYSA-N
• XLogP: 29.91
• TPSA: 177.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 16
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1760.08
LogP ≤ 5	29.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 163471446) is 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)c(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)sc4ccccc46)c(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3-c3ccccc3)n2)cc1.

What is the InChIKey of 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is BWVYAFMFAJRSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N7O.C60H37N7S/c1-5-17-38(18-6-1)39-29-31-43(32-30-39)58-61-55(40-19-7-2-8-20-40)63-59(64-58)44-33-34-49(47(37-44)60-65-56(41-21-9-3-10-22-41)62-57(66-60)42-23-11-4-12-24-42)67-48-27-15-13-25-45(48)53-50(67)35-36-52-54(53)46-26-14-16-28-51(46)68-52;1-5-19-38(20-6-1)43-27-13-14-28-44(43)59-63-57(41-25-11-4-12-26-41)62-58(66-59)42-33-34-49(47(37-42)60-64-55(39-21-7-2-8-22-39)61-56(65-60)40-23-9-3-10-24-40)67-48-31-17-15-29-45(48)53-50(67)35-36-52-54(53)46-30-16-18-32-51(46)68-52/h2*1-37H.

What are the key properties of 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 1760.08 g/mol, XLogP of 29.91, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;14-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 163471446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).