N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine

C50H33N7 — CID 129089173

About N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine

N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine (PubChem CID 129089173) has the molecular formula C50H33N7 and a molecular weight of 731.86 g/mol. Its IUPAC name is N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine.

Molecular Properties

• Compound Name: N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine
• PubChem CID: 129089173
• Molecular Formula: C50H33N7
• Molecular Weight: 731.86 g/mol
• Exact Mass: 731.28
• IUPAC Name: N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine
• SMILES: c1ccc(-c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc54)nc23)cc1
• InChI: InChI=1S/C50H33N7/c1-5-15-34(16-6-1)35-31-41-48-47(51-29-30-52-48)40-26-28-46(54-50(40)49(41)53-33-35)57-43-24-14-13-23-42(43)56(38-21-11-4-12-22-38)45-32-39(25-27-44(45)57)55(36-17-7-2-8-18-36)37-19-9-3-10-20-37/h1-33H
• InChIKey: UYJUOVVUNLECSN-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 61.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.86
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine?

The IUPAC name of N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine (CID 129089173) is N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine.

What is the SMILES notation for N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine?

The canonical SMILES for N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine is c1ccc(-c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5N(c5ccccc5)c5cc(N(c6ccccc6)c6ccccc6)ccc54)nc23)cc1.

What is the InChIKey of N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine?

The InChIKey is UYJUOVVUNLECSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N7/c1-5-15-34(16-6-1)35-31-41-48-47(51-29-30-52-48)40-26-28-46(54-50(40)49(41)53-33-35)57-43-24-14-13-23-42(43)56(38-21-11-4-12-22-38)45-32-39(25-27-44(45)57)55(36-17-7-2-8-18-36)37-19-9-3-10-20-37/h1-33H.

What are the key properties of N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine?

N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine has a molecular weight of 731.86 g/mol, XLogP of 13.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N,10-triphenyl-5-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenazin-2-amine is sourced from PubChem (CID 129089173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).