2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline

C44H28N4 — CID 176785222

IUPAC2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc4ccc5ccc(-c6cccc7nc(-c8ccccc8)c(-c8ccccc8)nc67)nc5c4n3)c2)cc1
InChIInChI=1S/C44H28N4/c1-4-12-29(13-5-1)34-18-10-19-35(28-34)37-26-24-32-22-23-33-25-27-38(46-42(33)41(32)45-37)36-20-11-21-39-44(36)48-43(31-16-8-3-9-17-31)40(47-39)30-14-6-2-7-15-30/h1-28H
InChIKeyRTIIUEZQDAMJFR-UHFFFAOYSA-N
MW612.74 g/mol
LogP11.06
Rot. Bonds5

About 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline

2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline (PubChem CID 176785222) has the molecular formula C44H28N4 and a molecular weight of 612.74 g/mol. Its IUPAC name is 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline.

Molecular Properties

Compound Name2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
PubChem CID176785222
Molecular FormulaC44H28N4
Molecular Weight612.74 g/mol
Exact Mass612.23
IUPAC Name2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline
SMILESc1ccc(-c2cccc(-c3ccc4ccc5ccc(-c6cccc7nc(-c8ccccc8)c(-c8ccccc8)nc67)nc5c4n3)c2)cc1
InChIInChI=1S/C44H28N4/c1-4-12-29(13-5-1)34-18-10-19-35(28-34)37-26-24-32-22-23-33-25-27-38(46-42(33)41(32)45-37)36-20-11-21-39-44(36)48-43(31-16-8-3-9-17-31)40(47-39)30-14-6-2-7-15-30/h1-28H
InChIKeyRTIIUEZQDAMJFR-UHFFFAOYSA-N
XLogP11.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.74
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-diphenylquinoxalin-5-yl)-9-phenyl-1,10-phenanthroline
CID 176785134
2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 176785151
5-(4-naphthalen-2-ylphenyl)-2,3-diphenylquinoxaline
CID 146334552
2-phenyl-9-[3-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 138725055
2-phenyl-9-[3-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]-1,10-phenanthroline
CID 138725062
2-phenyl-9-[4-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]phenyl]-1,10-phenanthroline
CID 59010455
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-phenyl-9-[3-phenyl-2-(4-phenylphenyl)quinoxalin-6-yl]-1,10-phenanthroline
CID 176785086
2-[3-[3-(3-phenylphenyl)quinoxalin-2-yl]phenyl]-9-(trideuteriomethyl)-1,10-phenanthroline
CID 171732240
2-phenyl-9-[3-(3-phenylquinolin-2-yl)phenyl]-1,10-phenanthroline
CID 171732288
2-[3-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725307
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline?
The IUPAC name of 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline (CID 176785222) is 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline.
What is the SMILES notation for 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline?
The canonical SMILES for 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline is c1ccc(-c2cccc(-c3ccc4ccc5ccc(-c6cccc7nc(-c8ccccc8)c(-c8ccccc8)nc67)nc5c4n3)c2)cc1.
What is the InChIKey of 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline?
The InChIKey is RTIIUEZQDAMJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4/c1-4-12-29(13-5-1)34-18-10-19-35(28-34)37-26-24-32-22-23-33-25-27-38(46-42(33)41(32)45-37)36-20-11-21-39-44(36)48-43(31-16-8-3-9-17-31)40(47-39)30-14-6-2-7-15-30/h1-28H.
What are the key properties of 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline?
2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline has a molecular weight of 612.74 g/mol, XLogP of 11.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylquinoxalin-5-yl)-9-(3-phenylphenyl)-1,10-phenanthroline is sourced from PubChem (CID 176785222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).