2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline

C28H20N4O2 — CID 21304154

IUPAC2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
SMILESCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H20N4O2/c1-33-19-11-7-17(8-12-19)23-24(18-9-13-20(34-2)14-10-18)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25/h3-16H,1-2H3
InChIKeyNFIHOQPCIFAABS-UHFFFAOYSA-N
MW444.49 g/mol
LogP6.08
Rot. Bonds4

About 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline

2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline (PubChem CID 21304154) has the molecular formula C28H20N4O2 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
PubChem CID21304154
Molecular FormulaC28H20N4O2
Molecular Weight444.49 g/mol
Exact Mass444.16
IUPAC Name2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline
SMILESCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C28H20N4O2/c1-33-19-11-7-17(8-12-19)23-24(18-9-13-20(34-2)14-10-18)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25/h3-16H,1-2H3
InChIKeyNFIHOQPCIFAABS-UHFFFAOYSA-N
XLogP6.08
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570
azanide;2,8,11,17,23,26-hexazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene;ruthenium
CID 164779457
2,3-bis(4-methoxyphenyl)pyrido[2,3-b]pyrazine
CID 22166291
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620161
8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
CID 19700943
3-(4-methoxyphenyl)phenanthro[9,10-b]pyrazine
CID 58019529
5-(4-methoxyphenyl)-7-propan-2-ylpyrido[2,3-d]pyridazin-8-one
CID 19700923
7-chloro-5-(4-methoxyphenyl)-1,6-naphthyridine
CID 102291117
2,3,8,9-tetrakis(4-methoxyphenyl)pyrazino[2,3-f]quinoxaline
CID 15620164
5,8-bis[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,3-bis(4-methoxyphenyl)quinoxaline
CID 170556563
2-(4-methoxyphenyl)-N-phenylpyridin-3-amine
CID 53355329
2,3-bis(4-methoxyphenyl)-5,6-dimethylpyrazine
CID 14100167

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline (CID 21304154) is 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline is COc1ccc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is NFIHOQPCIFAABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O2/c1-33-19-11-7-17(8-12-19)23-24(18-9-13-20(34-2)14-10-18)32-28-22-6-4-16-30-26(22)25-21(27(28)31-23)5-3-15-29-25/h3-16H,1-2H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline?
2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 444.49 g/mol, XLogP of 6.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)pyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 21304154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).