5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole

C41H25N3O — CID 177279465

IUPAC5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cc(-c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6ccccc56)c4)ccc3o2)cc1
InChIInChI=1S/C41H25N3O/c1-2-8-28(9-3-1)41-44-37-25-30(18-22-38(37)45-41)29-10-6-11-31(24-29)32-19-20-35(34-14-5-4-13-33(32)34)36-21-17-27-16-15-26-12-7-23-42-39(26)40(27)43-36/h1-25H
InChIKeyDYUYDXUIRRBSNP-UHFFFAOYSA-N
MW575.67 g/mol
LogP10.75
Rot. Bonds4

About 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole

5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole (PubChem CID 177279465) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole
PubChem CID177279465
Molecular FormulaC41H25N3O
Molecular Weight575.67 g/mol
Exact Mass575.20
IUPAC Name5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3cc(-c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6ccccc56)c4)ccc3o2)cc1
InChIInChI=1S/C41H25N3O/c1-2-8-28(9-3-1)41-44-37-25-30(18-22-38(37)45-41)29-10-6-11-31(24-29)32-19-20-35(34-14-5-4-13-33(32)34)36-21-17-27-16-15-26-12-7-23-42-39(26)40(27)43-36/h1-25H
InChIKeyDYUYDXUIRRBSNP-UHFFFAOYSA-N
XLogP10.75
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.67
LogP ≤ 510.75
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

5-[10-[4-(1,10-phenanthrolin-2-yl)phenyl]anthracen-9-yl]-2-phenyl-1,3-benzoxazole
CID 164780534
2-[4-[7-[2-(3,5-diphenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-(2-naphthalen-1-ylquinolin-7-yl)quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline;2-[4-[7-[2-(4-phenylphenyl)quinolin-7-yl]quinolin-2-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 164989934
2-phenyl-5-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]naphthalen-1-yl]-1,3-benzoxazole
CID 153310290
5-[3-[1-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-2-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 174333735
2-phenyl-9-[4-(3-phenylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725024
2-[4-[4-(5-phenylthiophen-2-yl)phenyl]naphthalen-1-yl]-1,10-phenanthroline
CID 166508990
2-[3-[7-(2-phenylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 155023081
2-phenyl-9-[4-(3-pyrimidin-2-ylphenyl)naphthalen-1-yl]-1,10-phenanthroline
CID 138725284
6-[4-[7-(1,10-phenanthrolin-2-yl)phenanthren-2-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[4-(1,10-phenanthrolin-5-yl)phenyl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine;6-[4-[5-(1,10-phenanthrolin-2-yl)quinolin-8-yl]phenyl]-2-phenyl-[1,3]oxazolo[5,4-k]phenanthridine
CID 163502376
2-[4-[6-[3,5-bis(3-dibenzofuran-2-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 123640065
2-(3-phenylphenyl)-1,10-phenanthroline
CID 118188250
2-[4-[10-(4-phenylphenyl)anthracen-9-yl]naphthalen-1-yl]-1,10-phenanthroline
CID 118885827

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The IUPAC name of 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole (CID 177279465) is 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3cc(-c4cccc(-c5ccc(-c6ccc7ccc8cccnc8c7n6)c6ccccc56)c4)ccc3o2)cc1.
What is the InChIKey of 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole?
The InChIKey is DYUYDXUIRRBSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-2-8-28(9-3-1)41-44-37-25-30(18-22-38(37)45-41)29-10-6-11-31(24-29)32-19-20-35(34-14-5-4-13-33(32)34)36-21-17-27-16-15-26-12-7-23-42-39(26)40(27)43-36/h1-25H.
What are the key properties of 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole?
5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole has a molecular weight of 575.67 g/mol, XLogP of 10.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(1,10-phenanthrolin-2-yl)naphthalen-1-yl]phenyl]-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 177279465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).