2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline

C37H23N3 — CID 134167568

IUPAC2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4ccc(-c5cnc6ccccc6c5)nc4c3n2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C37H23N3/c1-3-12-31-24(7-1)9-6-13-32(31)27-10-5-11-29(21-27)34-19-17-25-15-16-26-18-20-35(40-37(26)36(25)39-34)30-22-28-8-2-4-14-33(28)38-23-30/h1-23H
InChIKeySDLUWPKPNJGPNC-UHFFFAOYSA-N
MW509.61 g/mol
LogP9.49
Rot. Bonds3

About 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline

2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline (PubChem CID 134167568) has the molecular formula C37H23N3 and a molecular weight of 509.61 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline
PubChem CID134167568
Molecular FormulaC37H23N3
Molecular Weight509.61 g/mol
Exact Mass509.19
IUPAC Name2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline
SMILESc1cc(-c2ccc3ccc4ccc(-c5cnc6ccccc6c5)nc4c3n2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C37H23N3/c1-3-12-31-24(7-1)9-6-13-32(31)27-10-5-11-29(21-27)34-19-17-25-15-16-26-18-20-35(40-37(26)36(25)39-34)30-22-28-8-2-4-14-33(28)38-23-30/h1-23H
InChIKeySDLUWPKPNJGPNC-UHFFFAOYSA-N
XLogP9.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 59.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-acridin-9-ylphenyl)-9-(3-naphthalen-1-ylphenyl)-1,10-phenanthroline
CID 134167787
7-naphthalen-1-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline;7-phenanthren-9-yl-2-(2-quinolin-3-ylquinolin-7-yl)quinoline
CID 165020790
2-naphthalen-2-yl-9-[3-(6-quinolin-3-ylpyrazin-2-yl)phenyl]-1,10-phenanthroline
CID 134167446
2-(6-phenylpyren-1-yl)-9-quinolin-3-yl-1,10-phenanthroline
CID 134167755
2-phenyl-9-[3-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline;2-[4-[2-(2-quinolin-3-ylquinolin-7-yl)quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165080275
2-[3-[4-(3,5-dinaphthalen-1-ylphenyl)phenyl]phenyl]-9-phenyl-1,10-phenanthroline
CID 138725059
2-phenyl-9-[3-(4-phenylnaphthalen-1-yl)phenyl]-1,10-phenanthroline
CID 138725026
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-[4-[6-(2-quinolin-3-ylquinolin-6-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 129208813
2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
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
2-pyridin-3-yl-9-(6-quinolin-3-ylpyren-1-yl)-1,10-phenanthroline
CID 134167770

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline?
The IUPAC name of 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline (CID 134167568) is 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline.
What is the SMILES notation for 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline?
The canonical SMILES for 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline is c1cc(-c2ccc3ccc4ccc(-c5cnc6ccccc6c5)nc4c3n2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline?
The InChIKey is SDLUWPKPNJGPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3/c1-3-12-31-24(7-1)9-6-13-32(31)27-10-5-11-29(21-27)34-19-17-25-15-16-26-18-20-35(40-37(26)36(25)39-34)30-22-28-8-2-4-14-33(28)38-23-30/h1-23H.
What are the key properties of 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline?
2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline has a molecular weight of 509.61 g/mol, XLogP of 9.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-1-ylphenyl)-9-quinolin-3-yl-1,10-phenanthroline is sourced from PubChem (CID 134167568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).