N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine

C44H28N6O — CID 129089102

IUPACN,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine
SMILESc1ccc(-c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5Oc5cc(N(c6ccccc6)c6ccccc6)ccc54)nc23)cc1
InChIInChI=1S/C44H28N6O/c1-4-12-29(13-5-1)30-26-35-42-41(45-24-25-46-42)34-21-23-40(48-44(34)43(35)47-28-30)50-36-18-10-11-19-38(36)51-39-27-33(20-22-37(39)50)49(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-28H
InChIKeyOLZLAAUVZZPROA-UHFFFAOYSA-N
MW656.75 g/mol
LogP11.44
Rot. Bonds5

About N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine

N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine (PubChem CID 129089102) has the molecular formula C44H28N6O and a molecular weight of 656.75 g/mol. Its IUPAC name is N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine.

Molecular Properties

Compound NameN,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine
PubChem CID129089102
Molecular FormulaC44H28N6O
Molecular Weight656.75 g/mol
Exact Mass656.23
IUPAC NameN,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine
SMILESc1ccc(-c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5Oc5cc(N(c6ccccc6)c6ccccc6)ccc54)nc23)cc1
InChIInChI=1S/C44H28N6O/c1-4-12-29(13-5-1)30-26-35-42-41(45-24-25-46-42)34-21-23-40(48-44(34)43(35)47-28-30)50-36-18-10-11-19-38(36)51-39-27-33(20-22-37(39)50)49(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-28H
InChIKeyOLZLAAUVZZPROA-UHFFFAOYSA-N
XLogP11.44
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.75
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine?
The IUPAC name of N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine (CID 129089102) is N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine.
What is the SMILES notation for N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine?
The canonical SMILES for N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine is c1ccc(-c2cnc3c(c2)c2nccnc2c2ccc(N4c5ccccc5Oc5cc(N(c6ccccc6)c6ccccc6)ccc54)nc23)cc1.
What is the InChIKey of N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine?
The InChIKey is OLZLAAUVZZPROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6O/c1-4-12-29(13-5-1)30-26-35-42-41(45-24-25-46-42)34-21-23-40(48-44(34)43(35)47-28-30)50-36-18-10-11-19-38(36)51-39-27-33(20-22-37(39)50)49(31-14-6-2-7-15-31)32-16-8-3-9-17-32/h1-28H.
What are the key properties of N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine?
N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine has a molecular weight of 656.75 g/mol, XLogP of 11.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-10-(6-phenylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazin-3-amine is sourced from PubChem (CID 129089102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).