7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline

C50H30N4 — CID 118059227

IUPAC7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline
SMILESc1ccc2cc(-c3cc(-c4cc5ccccc5cn4)c4ccc5c(-c6ccc7ccccc7n6)cc(-c6cccc7ccccc67)nc5c4n3)ccc2c1
InChIInChI=1S/C50H30N4/c1-2-13-34-26-36(21-20-31(34)10-1)46-28-43(47-27-35-14-3-4-15-37(35)30-51-47)41-24-23-40-42(45-25-22-33-12-6-8-19-44(33)52-45)29-48(54-50(40)49(41)53-46)39-18-9-16-32-11-5-7-17-38(32)39/h1-30H
InChIKeyFVTVOMUQJJDUTK-UHFFFAOYSA-N
MW686.82 g/mol
LogP12.85
Rot. Bonds4

About 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline

7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline (PubChem CID 118059227) has the molecular formula C50H30N4 and a molecular weight of 686.82 g/mol. Its IUPAC name is 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline
PubChem CID118059227
Molecular FormulaC50H30N4
Molecular Weight686.82 g/mol
Exact Mass686.25
IUPAC Name7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline
SMILESc1ccc2cc(-c3cc(-c4cc5ccccc5cn4)c4ccc5c(-c6ccc7ccccc7n6)cc(-c6cccc7ccccc67)nc5c4n3)ccc2c1
InChIInChI=1S/C50H30N4/c1-2-13-34-26-36(21-20-31(34)10-1)46-28-43(47-27-35-14-3-4-15-37(35)30-51-47)41-24-23-40-42(45-25-22-33-12-6-8-19-44(33)52-45)29-48(54-50(40)49(41)53-46)39-18-9-16-32-11-5-7-17-38(32)39/h1-30H
InChIKeyFVTVOMUQJJDUTK-UHFFFAOYSA-N
XLogP12.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.82
LogP ≤ 512.85
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-naphthalen-1-yl-4,7-di(quinolin-2-yl)-1,10-phenanthroline
CID 163663033
2-(6-isoquinolin-3-yldibenzothiophen-4-yl)quinoline
CID 171419628
2-naphthalen-2-yl-7-(2-quinolin-5-ylquinolin-7-yl)quinoline
CID 164780916
2-[4-(7-naphthalen-2-yltriphenylen-2-yl)naphthalen-1-yl]quinoline
CID 129255162
2-methyl-4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidine
CID 118148910
4-naphthalen-1-yl-6-naphthalen-2-yl-2-[4-[5-[4-(4-naphthalen-1-yl-6-naphthalen-2-ylpyrimidin-2-yl)phenyl]naphthalen-1-yl]phenyl]pyrimidine
CID 122447956
2-[7-[2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-7-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-naphthalen-2-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline;2-[7-(2-phenanthren-9-ylquinolin-7-yl)quinolin-2-yl]benzo[h]quinoline
CID 165037983
2-[4-[4-[4-(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]phenyl]-6-phenylpyrimidin-2-yl]quinoline
CID 168797123
2-naphthalen-2-yl-9-[4-(9-naphthalen-2-yl-1,10-phenanthrolin-2-yl)naphthalen-1-yl]-1,10-phenanthroline
CID 59010533
4-isoquinolin-3-yl-7-(4-methylnaphthalen-2-yl)-2,9-diphenyl-1,10-phenanthroline
CID 144839303
2-[3-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-5-isoquinolin-3-ylphenyl]quinoline
CID 118582341
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856

Frequently Asked Questions

What is the IUPAC name of 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline?
The IUPAC name of 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline (CID 118059227) is 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline.
What is the SMILES notation for 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline?
The canonical SMILES for 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline is c1ccc2cc(-c3cc(-c4cc5ccccc5cn4)c4ccc5c(-c6ccc7ccccc7n6)cc(-c6cccc7ccccc67)nc5c4n3)ccc2c1.
What is the InChIKey of 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline?
The InChIKey is FVTVOMUQJJDUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4/c1-2-13-34-26-36(21-20-31(34)10-1)46-28-43(47-27-35-14-3-4-15-37(35)30-51-47)41-24-23-40-42(45-25-22-33-12-6-8-19-44(33)52-45)29-48(54-50(40)49(41)53-46)39-18-9-16-32-11-5-7-17-38(32)39/h1-30H.
What are the key properties of 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline?
7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline has a molecular weight of 686.82 g/mol, XLogP of 12.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-isoquinolin-3-yl-2-naphthalen-1-yl-9-naphthalen-2-yl-4-quinolin-2-yl-1,10-phenanthroline is sourced from PubChem (CID 118059227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).