7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine

C112H69N9 — CID 167063919

About 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine

7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine (PubChem CID 167063919) has the molecular formula C112H69N9 and a molecular weight of 1540.85 g/mol. Its IUPAC name is 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine.

Molecular Properties

• Compound Name: 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine
• PubChem CID: 167063919
• Molecular Formula: C112H69N9
• Molecular Weight: 1540.85 g/mol
• Exact Mass: 1539.57
• IUPAC Name: 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine
• SMILES: c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4cc(-c4ccccc4)c4nc(-c6ccccc6)c(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc(-c9nc%10ccccc%10c%10c9cc(-c9ccccc9)c9nc(-c%11ccccc%11)c(-c%11ccccc%11)nc9%10)c8)cc7)cc6)nc45)c3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C112H69N9/c1-8-30-72(31-9-1)89-67-92-100(110-108(89)117-104(75-36-14-4-15-37-75)106(119-110)77-40-18-6-19-41-77)87-49-22-25-51-94(87)113-102(92)83-46-28-44-80(64-83)71-58-61-85(62-59-71)121-98-53-27-24-48-86(98)91-66-81(60-63-99(91)121)70-54-56-78(57-55-70)107-105(76-38-16-5-17-39-76)118-109-90(73-32-10-2-11-33-73)68-93-101(111(109)120-107)88-50-23-26-52-95(88)114-103(93)84-47-29-45-82(65-84)97-69-96(74-34-12-3-13-35-74)115-112(116-97)79-42-20-7-21-43-79/h1-69H
• InChIKey: PHNSIDVEIWAAJU-UHFFFAOYSA-N
• XLogP: 28.53
• TPSA: 108.05 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1540.85
LogP ≤ 5	28.53
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]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine?

The IUPAC name of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine (CID 167063919) is 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine.

What is the SMILES notation for 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine?

The canonical SMILES for 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine is c1ccc(-c2cc(-c3cccc(-c4nc5ccccc5c5c4cc(-c4ccccc4)c4nc(-c6ccccc6)c(-c6ccc(-c7ccc8c(c7)c7ccccc7n8-c7ccc(-c8cccc(-c9nc%10ccccc%10c%10c9cc(-c9ccccc9)c9nc(-c%11ccccc%11)c(-c%11ccccc%11)nc9%10)c8)cc7)cc6)nc45)c3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine?

The InChIKey is PHNSIDVEIWAAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C112H69N9/c1-8-30-72(31-9-1)89-67-92-100(110-108(89)117-104(75-36-14-4-15-37-75)106(119-110)77-40-18-6-19-41-77)87-49-22-25-51-94(87)113-102(92)83-46-28-44-80(64-83)71-58-61-85(62-59-71)121-98-53-27-24-48-86(98)91-66-81(60-63-99(91)121)70-54-56-78(57-55-70)107-105(76-38-16-5-17-39-76)118-109-90(73-32-10-2-11-33-73)68-93-101(111(109)120-107)88-50-23-26-52-95(88)114-103(93)84-47-29-45-82(65-84)97-69-96(74-34-12-3-13-35-74)115-112(116-97)79-42-20-7-21-43-79/h1-69H.

What are the key properties of 7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine?

7-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine has a molecular weight of 1540.85 g/mol, XLogP of 28.53, 14 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]-3,5-diphenyl-2-[4-[9-[4-[3-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)phenyl]phenyl]carbazol-3-yl]phenyl]pyrazino[2,3-k]phenanthridine is sourced from PubChem (CID 167063919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).