2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline

C31H19N3 — CID 134167279

IUPAC2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
SMILESc1ccc2c(-c3ccc4ccc5ccc(-c6cccc7cccnc67)nc5c4n3)cccc2c1
InChIInChI=1S/C31H19N3/c1-2-10-24-20(6-1)7-3-11-25(24)27-17-15-22-13-14-23-16-18-28(34-31(23)30(22)33-27)26-12-4-8-21-9-5-19-32-29(21)26/h1-19H
InChIKeyQFABKMRBIYLUTE-UHFFFAOYSA-N
MW433.51 g/mol
LogP7.82
Rot. Bonds2

About 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline

2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline (PubChem CID 134167279) has the molecular formula C31H19N3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline.

Molecular Properties

Compound Name2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
PubChem CID134167279
Molecular FormulaC31H19N3
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline
SMILESc1ccc2c(-c3ccc4ccc5ccc(-c6cccc7cccnc67)nc5c4n3)cccc2c1
InChIInChI=1S/C31H19N3/c1-2-10-24-20(6-1)7-3-11-25(24)27-17-15-22-13-14-23-16-18-28(34-31(23)30(22)33-27)26-12-4-8-21-9-5-19-32-29(21)26/h1-19H
InChIKeyQFABKMRBIYLUTE-UHFFFAOYSA-N
XLogP7.82
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.82
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-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 145221325
8-(2-naphthalen-1-ylethenyl)-2-quinolin-8-ylquinoline
CID 58233138
2-(4-isoquinolin-1-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 118885832
2-[4-[4-(5-naphthalen-1-ylfuran-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166509123
2-(4-bromonaphthalen-1-yl)-1,10-phenanthroline
CID 118861987
2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1,10-phenanthroline
CID 121460934
2-(8-ethylquinolin-5-yl)-1,10-phenanthroline
CID 145451181
2-[4-(4-bromophenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 164519373
7-naphthalen-1-yl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline;7-phenyl-2-(2-quinolin-8-ylquinolin-7-yl)quinoline
CID 164992438
2-[2,3,5,6,7,8-hexadeuterio-4-(5-naphthalen-1-ylfuran-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 166508995
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
8-pyridin-2-ylquinoline
CID 10982041

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline?
The IUPAC name of 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline (CID 134167279) is 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline.
What is the SMILES notation for 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline?
The canonical SMILES for 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline is c1ccc2c(-c3ccc4ccc5ccc(-c6cccc7cccnc67)nc5c4n3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline?
The InChIKey is QFABKMRBIYLUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N3/c1-2-10-24-20(6-1)7-3-11-25(24)27-17-15-22-13-14-23-16-18-28(34-31(23)30(22)33-27)26-12-4-8-21-9-5-19-32-29(21)26/h1-19H.
What are the key properties of 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline?
2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline has a molecular weight of 433.51 g/mol, XLogP of 7.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-9-quinolin-8-yl-1,10-phenanthroline is sourced from PubChem (CID 134167279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).