10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole

C37H21NO2 — CID 169078077

IUPAC10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole
SMILESc1ccc2cc(-c3noc4c3ccc3ccc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c34)ccc2c1
InChIInChI=1S/C37H21NO2/c1-2-6-25-19-28(14-9-22(25)5-1)36-30-17-15-24-12-10-23-11-13-26(20-31(23)35(24)37(30)40-38-36)27-16-18-34-32(21-27)29-7-3-4-8-33(29)39-34/h1-21H
InChIKeyAYXCFVWXYNZRIQ-UHFFFAOYSA-N
MW511.58 g/mol
LogP10.52
Rot. Bonds2

About 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole

10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole (PubChem CID 169078077) has the molecular formula C37H21NO2 and a molecular weight of 511.58 g/mol. Its IUPAC name is 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole.

Molecular Properties

Compound Name10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole
PubChem CID169078077
Molecular FormulaC37H21NO2
Molecular Weight511.58 g/mol
Exact Mass511.16
IUPAC Name10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole
SMILESc1ccc2cc(-c3noc4c3ccc3ccc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c34)ccc2c1
InChIInChI=1S/C37H21NO2/c1-2-6-25-19-28(14-9-22(25)5-1)36-30-17-15-24-12-10-23-11-13-26(20-31(23)35(24)37(30)40-38-36)27-16-18-34-32(21-27)29-7-3-4-8-33(29)39-34/h1-21H
InChIKeyAYXCFVWXYNZRIQ-UHFFFAOYSA-N
XLogP10.52
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.58
LogP ≤ 510.52
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-dibenzofuran-2-yl-4-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-6-naphtho[2,1-b][1]benzofuran-2-yl-1,3,5-triazine
CID 168844978
3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole
CID 169078132
2,4-dinaphthalen-2-yl-6-(7-naphthalen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 163653920
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 177119766
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazine
CID 158181891
2-(8-naphthalen-2-yldibenzofuran-2-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 176616795
3-naphthalen-2-yldibenzofuran
CID 68932481
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-(6-naphthalen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 170210787
2,4-di(chrysen-3-yl)-6-dibenzofuran-2-yl-1,3,5-triazine
CID 158404878
2-dibenzofuran-2-yl-4-(8-naphthalen-2-ylnaphthalen-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 176587677
2-dibenzofuran-2-yl-4-(3-naphthalen-2-ylphenyl)-6-[3-(7-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 170942483
2-(3-dibenzofuran-2-ylnaphthalen-2-yl)-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine
CID 172545376

Frequently Asked Questions

What is the IUPAC name of 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole?
The IUPAC name of 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole (CID 169078077) is 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole.
What is the SMILES notation for 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole?
The canonical SMILES for 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole is c1ccc2cc(-c3noc4c3ccc3ccc5ccc(-c6ccc7oc8ccccc8c7c6)cc5c34)ccc2c1.
What is the InChIKey of 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole?
The InChIKey is AYXCFVWXYNZRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21NO2/c1-2-6-25-19-28(14-9-22(25)5-1)36-30-17-15-24-12-10-23-11-13-26(20-31(23)35(24)37(30)40-38-36)27-16-18-34-32(21-27)29-7-3-4-8-33(29)39-34/h1-21H.
What are the key properties of 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole?
10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole has a molecular weight of 511.58 g/mol, XLogP of 10.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole is sourced from PubChem (CID 169078077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).