7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine

C102H59F6N9 — CID 167063864

About 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine

7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine (PubChem CID 167063864) has the molecular formula C102H59F6N9 and a molecular weight of 1524.64 g/mol. Its IUPAC name is 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine.

Molecular Properties

• Compound Name: 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine
• PubChem CID: 167063864
• Molecular Formula: C102H59F6N9
• Molecular Weight: 1524.64 g/mol
• Exact Mass: 1523.48
• IUPAC Name: 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine
• SMILES: FC(F)(F)c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7nc8c(cc(C(F)(F)F)c9c(-c%10cccc(-c%11cc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10)nc%10ccccc%10c98)nc7-c7ccccc7)cc6)ccc54)cc3)c1)nc1ccccc12
• InChI: InChI=1S/C102H59F6N9/c103-101(104,105)78-57-84-98(115-96(65-30-12-4-13-31-65)94(111-84)63-26-8-2-9-27-63)88-75-39-16-19-41-80(75)109-92(90(78)88)71-36-22-34-68(54-71)61-48-51-73(52-49-61)117-86-43-21-18-38-74(86)77-56-69(50-53-87(77)117)60-44-46-66(47-45-60)97-95(64-28-10-3-11-29-64)112-85-58-79(102(106,107)108)91-89(99(85)116-97)76-40-17-20-42-81(76)110-93(91)72-37-23-35-70(55-72)83-59-82(62-24-6-1-7-25-62)113-100(114-83)67-32-14-5-15-33-67/h1-59H
• InChIKey: RNTHFOWJQLLTOA-UHFFFAOYSA-N
• XLogP: 27.24
• TPSA: 108.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1524.64
LogP ≤ 5	27.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine?

The IUPAC name of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine (CID 167063864) is 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine.

What is the SMILES notation for 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine?

The canonical SMILES for 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine is FC(F)(F)c1cc2nc(-c3ccccc3)c(-c3ccccc3)nc2c2c1c(-c1cccc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc(-c7nc8c(cc(C(F)(F)F)c9c(-c%10cccc(-c%11cc(-c%12ccccc%12)nc(-c%12ccccc%12)n%11)c%10)nc%10ccccc%10c98)nc7-c7ccccc7)cc6)ccc54)cc3)c1)nc1ccccc12.

What is the InChIKey of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine?

The InChIKey is RNTHFOWJQLLTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C102H59F6N9/c103-101(104,105)78-57-84-98(115-96(65-30-12-4-13-31-65)94(111-84)63-26-8-2-9-27-63)88-75-39-16-19-41-80(75)109-92(90(78)88)71-36-22-34-68(54-71)61-48-51-73(52-49-61)117-86-43-21-18-38-74(86)77-56-69(50-53-87(77)117)60-44-46-66(47-45-60)97-95(64-28-10-3-11-29-64)112-85-58-79(102(106,107)108)91-89(99(85)116-97)76-40-17-20-42-81(76)110-93(91)72-37-23-35-70(55-72)83-59-82(62-24-6-1-7-25-62)113-100(114-83)67-32-14-5-15-33-67/h1-59H.

What are the key properties of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine?

7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine has a molecular weight of 1524.64 g/mol, XLogP of 27.24, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-[4-[9-[4-[3-[2,3-diphenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridin-7-yl]phenyl]phenyl]carbazol-3-yl]phenyl]-3-phenyl-6-(trifluoromethyl)pyrazino[2,3-k]phenanthridine is sourced from PubChem (CID 167063864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).