2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole

C25H15NO — CID 122368664

IUPAC2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc2c(-c3nc4c5ccccc5c5ccccc5c4o3)cccc2c1
InChIInChI=1S/C25H15NO/c1-2-10-17-16(8-1)9-7-15-22(17)25-26-23-20-13-5-3-11-18(20)19-12-4-6-14-21(19)24(23)27-25/h1-15H
InChIKeyVFLAZOGSGPOQHP-UHFFFAOYSA-N
MW345.40 g/mol
LogP6.95
Rot. Bonds1

About 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole

2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole (PubChem CID 122368664) has the molecular formula C25H15NO and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole.

Molecular Properties

Compound Name2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
PubChem CID122368664
Molecular FormulaC25H15NO
Molecular Weight345.40 g/mol
Exact Mass345.12
IUPAC Name2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
SMILESc1ccc2c(-c3nc4c5ccccc5c5ccccc5c4o3)cccc2c1
InChIInChI=1S/C25H15NO/c1-2-10-17-16(8-1)9-7-15-22(17)25-26-23-20-13-5-3-11-18(20)19-12-4-6-14-21(19)24(23)27-25/h1-15H
InChIKeyVFLAZOGSGPOQHP-UHFFFAOYSA-N
XLogP6.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,10-di(carbazol-9-yl)-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole
CID 59188552
2-(2-benzhydrylphenyl)phenanthro[9,10-d][1,3]oxazole
CID 171747622
6-[4-[4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-2-phenylphenanthro[9,10-d][1,3]oxazole
CID 163520765
2-[3,5-bis(4,6-dinaphthalen-1-ylpyrimidin-2-yl)phenyl]-[1,3]oxazolo[5,4-f][1,10]phenanthroline
CID 89279878
2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]-1,3-benzoxazole;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 160633807
2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]benzo[e][1,3]benzoxazole;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]-[1,3]oxazolo[4,5-b]pyridine;2-[3,5-bis(2,6-dinaphthalen-1-yl-4-pyridinyl)phenyl]phenanthro[9,10-d][1,3]oxazole
CID 158881737
N-naphthalen-2-yl-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)naphthalen-2-amine
CID 171747678
2,11-dinaphthalen-1-ylbenzo[f][1,10]phenanthroline
CID 164937856
3-N-naphthalen-2-yl-1-N-(4-phenanthro[9,10-d][1,3]oxazol-2-ylphenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171747409
5-hydroxy-2-naphthalen-1-yl-1,3-benzoxazole-4-carbaldehyde
CID 155511013
8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-1-ylbenzo[g][1,3]benzoxazole
CID 138633683
5,10-dibromo-2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole;N-phenylnaphthalen-1-amine;5-N,10-N,2-trinaphthalen-1-yl-5-N,10-N-diphenylphenanthro[9,10-d][1,3]oxazole-5,10-diamine
CID 158357134

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole?
The IUPAC name of 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole (CID 122368664) is 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole.
What is the SMILES notation for 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole?
The canonical SMILES for 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole is c1ccc2c(-c3nc4c5ccccc5c5ccccc5c4o3)cccc2c1.
What is the InChIKey of 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole?
The InChIKey is VFLAZOGSGPOQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15NO/c1-2-10-17-16(8-1)9-7-15-22(17)25-26-23-20-13-5-3-11-18(20)19-12-4-6-14-21(19)24(23)27-25/h1-15H.
What are the key properties of 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole?
2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole has a molecular weight of 345.40 g/mol, XLogP of 6.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylphenanthro[9,10-d][1,3]oxazole is sourced from PubChem (CID 122368664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).