19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]

C104H62N8 — CID 156560261

About 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]

19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene] (PubChem CID 156560261) has the molecular formula C104H62N8 and a molecular weight of 1423.70 g/mol. Its IUPAC name is 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene].

Molecular Properties

• Compound Name: 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
• PubChem CID: 156560261
• Molecular Formula: C104H62N8
• Molecular Weight: 1423.70 g/mol
• Exact Mass: 1422.51
• IUPAC Name: 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]
• SMILES: c1ccc(-c2nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5-c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)nc(-c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)n2)cc1
• InChI: InChI=1S/C104H62N8/c1-6-29-63(30-7-1)97-106-100(108-101(107-97)68-55-56-77-90(62-68)112(70-39-14-5-15-40-70)88-59-57-85-92(94(77)88)75-44-19-24-51-82(75)103(85)79-48-21-16-41-72(79)73-42-17-22-49-80(73)103)67-36-26-35-66(61-67)71-46-27-52-83-91(71)74-43-18-23-50-81(74)104(83)84-53-28-47-78(102-109-98(64-31-8-2-9-32-64)105-99(110-102)65-33-10-3-11-34-65)93(84)96-86(104)58-60-89-95(96)76-45-20-25-54-87(76)111(89)69-37-12-4-13-38-69/h1-62H
• InChIKey: CHUPXEMSEYCWTJ-UHFFFAOYSA-N
• XLogP: 24.61
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1423.70
LogP ≤ 5	24.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]?

The IUPAC name of 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene] (CID 156560261) is 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene].

What is the SMILES notation for 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]?

The canonical SMILES for 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene] is c1ccc(-c2nc(-c3cccc(-c4cccc5c4-c4ccccc4C54c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5-c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)nc(-c3ccc4c5c6c(ccc5n(-c5ccccc5)c4c3)C3(c4ccccc4-c4ccccc43)c3ccccc3-6)n2)cc1.

What is the InChIKey of 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]?

The InChIKey is CHUPXEMSEYCWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H62N8/c1-6-29-63(30-7-1)97-106-100(108-101(107-97)68-55-56-77-90(62-68)112(70-39-14-5-15-40-70)88-59-57-85-92(94(77)88)75-44-19-24-51-82(75)103(85)79-48-21-16-41-72(79)73-42-17-22-49-80(73)103)67-36-26-35-66(61-67)71-46-27-52-83-91(71)74-43-18-23-50-81(74)104(83)84-53-28-47-78(102-109-98(64-31-8-2-9-32-64)105-99(110-102)65-33-10-3-11-34-65)93(84)96-86(104)58-60-89-95(96)76-45-20-25-54-87(76)111(89)69-37-12-4-13-38-69/h1-62H.

What are the key properties of 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]?

19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene] has a molecular weight of 1423.70 g/mol, XLogP of 24.61, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 19-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4'-[3-[4-phenyl-6-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene-14,9'-fluorene]-6-yl)-1,3,5-triazin-2-yl]phenyl]spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene] is sourced from PubChem (CID 156560261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).