2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline

C41H25N5 — CID 171732099

IUPAC2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2nc3ccccc3nc2-c2cccc3cc(-c4ccc5ccc6ccc(-c7ccccn7)nc6c5n4)ccc23)cc1
InChIInChI=1S/C41H25N5/c1-2-9-26(10-3-1)40-41(46-36-15-5-4-14-35(36)44-40)32-12-8-11-29-25-30(18-21-31(29)32)33-22-19-27-16-17-28-20-23-37(34-13-6-7-24-42-34)45-39(28)38(27)43-33/h1-25H
InChIKeyLQWVQJXPRICVPG-UHFFFAOYSA-N
MW587.69 g/mol
LogP9.94
Rot. Bonds4

About 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline

2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline (PubChem CID 171732099) has the molecular formula C41H25N5 and a molecular weight of 587.69 g/mol. Its IUPAC name is 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline
PubChem CID171732099
Molecular FormulaC41H25N5
Molecular Weight587.69 g/mol
Exact Mass587.21
IUPAC Name2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline
SMILESc1ccc(-c2nc3ccccc3nc2-c2cccc3cc(-c4ccc5ccc6ccc(-c7ccccn7)nc6c5n4)ccc23)cc1
InChIInChI=1S/C41H25N5/c1-2-9-26(10-3-1)40-41(46-36-15-5-4-14-35(36)44-40)32-12-8-11-29-25-30(18-21-31(29)32)33-22-19-27-16-17-28-20-23-37(34-13-6-7-24-42-34)45-39(28)38(27)43-33/h1-25H
InChIKeyLQWVQJXPRICVPG-UHFFFAOYSA-N
XLogP9.94
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.69
LogP ≤ 59.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(3-naphthalen-2-ylquinoxalin-2-yl)phenyl]-1,10-phenanthroline
CID 171732224
2-[4-[4-(3-phenylquinoxalin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 176785197
2-[3-(4-phenylquinazolin-2-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732230
7-phenyl-2-[6-(6-pyridin-2-yl-2-pyridinyl)quinolin-2-yl]benzo[b][1,10]phenanthroline
CID 134559802
2-(3-pyren-1-ylphenyl)-9-pyridin-2-yl-1,10-phenanthroline
CID 134167551
2-(2,3-diphenylquinoxalin-5-yl)-9-naphthalen-2-yl-1,10-phenanthroline
CID 176785151
2-phenyl-5-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-9-[3-[3-[9-[6-(2-pyridin-2-ylquinolin-6-yl)quinolin-2-yl]-1,10-phenanthrolin-2-yl]phenyl]phenyl]-1,10-phenanthroline
CID 129208722
2-pyridin-2-yl-9-(3-triphenylen-2-ylphenyl)-1,10-phenanthroline
CID 134167567
2-[3-(2-phenylquinazolin-4-yl)phenyl]-9-pyridin-2-yl-1,10-phenanthroline
CID 171732312
7-[4-[4-[3-(4-phenylphenyl)quinoxalin-2-yl]naphthalen-1-yl]phenyl]benzo[h]quinoline
CID 155792487
7-phenyl-2-[6-(2-pyridin-2-ylquinolin-7-yl)naphthalen-2-yl]benzo[b][1,10]phenanthroline
CID 139445812
2-[3,5-di(quinolin-3-yl)phenyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline;2-pyridin-2-yl-7-[2-(3-quinolin-3-ylphenyl)quinolin-7-yl]quinoline;2-[7-(2-pyridin-2-ylquinolin-7-yl)quinolin-2-yl]-1,10-phenanthroline
CID 165071745

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline?
The IUPAC name of 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline (CID 171732099) is 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline?
The canonical SMILES for 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline is c1ccc(-c2nc3ccccc3nc2-c2cccc3cc(-c4ccc5ccc6ccc(-c7ccccn7)nc6c5n4)ccc23)cc1.
What is the InChIKey of 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline?
The InChIKey is LQWVQJXPRICVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5/c1-2-9-26(10-3-1)40-41(46-36-15-5-4-14-35(36)44-40)32-12-8-11-29-25-30(18-21-31(29)32)33-22-19-27-16-17-28-20-23-37(34-13-6-7-24-42-34)45-39(28)38(27)43-33/h1-25H.
What are the key properties of 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline?
2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline has a molecular weight of 587.69 g/mol, XLogP of 9.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-phenylquinoxalin-2-yl)naphthalen-2-yl]-9-pyridin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 171732099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).