2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline

C36H22N4 — CID 171732224

IUPAC2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2nc3ccccc3nc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C36H22N4/c1-2-8-26-21-29(17-14-23(26)7-1)36-35(39-31-12-3-4-13-32(31)40-36)28-10-5-9-27(22-28)30-19-18-25-16-15-24-11-6-20-37-33(24)34(25)38-30/h1-22H
InChIKeyVPVBQUDOUCZVLX-UHFFFAOYSA-N
MW510.60 g/mol
LogP8.88
Rot. Bonds3

About 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline

2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline (PubChem CID 171732224) has the molecular formula C36H22N4 and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline
PubChem CID171732224
Molecular FormulaC36H22N4
Molecular Weight510.60 g/mol
Exact Mass510.18
IUPAC Name2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2nc3ccccc3nc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C36H22N4/c1-2-8-26-21-29(17-14-23(26)7-1)36-35(39-31-12-3-4-13-32(31)40-36)28-10-5-9-27(22-28)30-19-18-25-16-15-24-11-6-20-37-33(24)34(25)38-30/h1-22H
InChIKeyVPVBQUDOUCZVLX-UHFFFAOYSA-N
XLogP8.88
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 58.88
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-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
2-naphthalen-2-yl-9-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 59010381
6-naphthalen-2-yl-8-[3-[4-(1,10-phenanthrolin-2-yl)phenyl]phenyl]benzo[k]phenanthridine
CID 122665702
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-naphthalen-2-yl-9-[3-[3-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 59010493
2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 176785151
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2-[3-methyl-5-(1,10-phenanthrolin-2-yl)phenyl]-9-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline
CID 144635240
2-(3-naphthalen-2-ylphenyl)-9-(3-quinoxalin-6-ylphenyl)-1,10-phenanthroline
CID 134167733
2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732099
2-[4-[7-(2-naphthalen-2-ylquinolin-6-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023263
2-[3-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460929

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline?
The IUPAC name of 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline (CID 171732224) is 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline.
What is the SMILES notation for 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline?
The canonical SMILES for 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline is c1cc(-c2ccc3ccc4cccnc4c3n2)cc(-c2nc3ccccc3nc2-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline?
The InChIKey is VPVBQUDOUCZVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4/c1-2-8-26-21-29(17-14-23(26)7-1)36-35(39-31-12-3-4-13-32(31)40-36)28-10-5-9-27(22-28)30-19-18-25-16-15-24-11-6-20-37-33(24)34(25)38-30/h1-22H.
What are the key properties of 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline?
2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline has a molecular weight of 510.60 g/mol, XLogP of 8.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline is sourced from PubChem (CID 171732224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).