10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine

C70H36F10N6 — CID 135131131

About 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine

10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine (PubChem CID 135131131) has the molecular formula C70H36F10N6 and a molecular weight of 1151.08 g/mol. Its IUPAC name is 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine.

Molecular Properties

• Compound Name: 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine
• PubChem CID: 135131131
• Molecular Formula: C70H36F10N6
• Molecular Weight: 1151.08 g/mol
• Exact Mass: 1150.28
• IUPAC Name: 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine
• SMILES: Fc1c(F)c(F)c(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)c(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F
• InChI: InChI=1S/C70H36F10N6/c71-56-54(57(72)61(76)64(79)60(56)75)68-81-67(82-69(83-68)55-58(73)62(77)65(80)63(78)59(55)74)37-35-52(84-46-29-13-7-23-40(46)41-24-8-14-30-47(41)84)66(53(36-37)85-48-31-15-9-25-42(48)43-26-10-16-32-49(43)85)86-50-33-17-11-27-44(50)70(38-19-3-1-4-20-38,39-21-5-2-6-22-39)45-28-12-18-34-51(45)86/h1-36H
• InChIKey: VOEHSHULVNOVPT-UHFFFAOYSA-N
• XLogP: 18.62
• TPSA: 51.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1151.08
LogP ≤ 5	18.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine?

The IUPAC name of 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine (CID 135131131) is 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine.

What is the SMILES notation for 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine?

The canonical SMILES for 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine is Fc1c(F)c(F)c(-c2nc(-c3cc(-n4c5ccccc5c5ccccc54)c(N4c5ccccc5C(c5ccccc5)(c5ccccc5)c5ccccc54)c(-n4c5ccccc5c5ccccc54)c3)nc(-c3c(F)c(F)c(F)c(F)c3F)n2)c(F)c1F.

What is the InChIKey of 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine?

The InChIKey is VOEHSHULVNOVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H36F10N6/c71-56-54(57(72)61(76)64(79)60(56)75)68-81-67(82-69(83-68)55-58(73)62(77)65(80)63(78)59(55)74)37-35-52(84-46-29-13-7-23-40(46)41-24-8-14-30-47(41)84)66(53(36-37)85-48-31-15-9-25-42(48)43-26-10-16-32-49(43)85)86-50-33-17-11-27-44(50)70(38-19-3-1-4-20-38,39-21-5-2-6-22-39)45-28-12-18-34-51(45)86/h1-36H.

What are the key properties of 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine?

10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine has a molecular weight of 1151.08 g/mol, XLogP of 18.62, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-[4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]-2,6-di(carbazol-9-yl)phenyl]-9,9-diphenylacridine is sourced from PubChem (CID 135131131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).