9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C64H36F4N6 — CID 155444122

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

9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 155444122) has the molecular formula C64H36F4N6 and a molecular weight of 965.03 g/mol. Its IUPAC name is 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[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: 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 155444122
• Molecular Formula: C64H36F4N6
• Molecular Weight: 965.03 g/mol
• Exact Mass: 964.29
• IUPAC Name: 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: Fc1cccc(F)c1C1c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3c4c5ccccc5n(-c5c(F)cccc5F)c4ccc32)n1
• InChI: InChI=1S/C64H36F4N6/c65-45-21-12-22-46(66)60(45)56-40-17-5-4-16-39(40)55-44(56)32-33-53-57(55)42-19-7-10-26-50(42)73(53)63-69-62(38-30-28-37(29-31-38)36-14-2-1-3-15-36)70-64(71-63)74-51-27-11-8-20-43(51)59-54(74)35-34-52-58(59)41-18-6-9-25-49(41)72(52)61-47(67)23-13-24-48(61)68/h1-35,56H
• InChIKey: IXUQIEZPMPAZOD-UHFFFAOYSA-N
• XLogP: 16.21
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	965.03
LogP ≤ 5	16.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[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 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 155444122) is 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[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 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[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 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is Fc1cccc(F)c1C1c2ccccc2-c2c1ccc1c2c2ccccc2n1-c1nc(-c2ccc(-c3ccccc3)cc2)nc(-n2c3ccccc3c3c4c5ccccc5n(-c5c(F)cccc5F)c4ccc32)n1.

What is the InChIKey of 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[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 IXUQIEZPMPAZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H36F4N6/c65-45-21-12-22-46(66)60(45)56-40-17-5-4-16-39(40)55-44(56)32-33-53-57(55)42-19-7-10-26-50(42)73(53)63-69-62(38-30-28-37(29-31-38)36-14-2-1-3-15-36)70-64(71-63)74-51-27-11-8-20-43(51)59-54(74)35-34-52-58(59)41-18-6-9-25-49(41)72(52)61-47(67)23-13-24-48(61)68/h1-35,56H.

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

9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[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 965.03 g/mol, XLogP of 16.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2,6-difluorophenyl)-14-[4-[14-(2,6-difluorophenyl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[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 155444122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).