3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole

C27H17NO — CID 169078132

IUPAC3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole
SMILESc1ccc(-c2ccc3ccc4ccc5c(-c6ccccc6)noc5c4c3c2)cc1
InChIInChI=1S/C27H17NO/c1-3-7-18(8-4-1)22-14-12-19-11-13-20-15-16-23-26(21-9-5-2-6-10-21)28-29-27(23)25(20)24(19)17-22/h1-17H
InChIKeyKWPSXYPJPDXORC-UHFFFAOYSA-N
MW371.44 g/mol
LogP7.47
Rot. Bonds2

About 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole

3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole (PubChem CID 169078132) has the molecular formula C27H17NO and a molecular weight of 371.44 g/mol. Its IUPAC name is 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole.

Molecular Properties

Compound Name3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole
PubChem CID169078132
Molecular FormulaC27H17NO
Molecular Weight371.44 g/mol
Exact Mass371.13
IUPAC Name3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole
SMILESc1ccc(-c2ccc3ccc4ccc5c(-c6ccccc6)noc5c4c3c2)cc1
InChIInChI=1S/C27H17NO/c1-3-7-18(8-4-1)22-14-12-19-11-13-20-15-16-23-26(21-9-5-2-6-10-21)28-29-27(23)25(20)24(19)17-22/h1-17H
InChIKeyKWPSXYPJPDXORC-UHFFFAOYSA-N
XLogP7.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 57.47
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

10-dibenzofuran-2-yl-3-naphthalen-2-ylnaphtho[2,1-g][1,2]benzoxazole
CID 169078077
3,10-diphenylnaphtho[2,1-g][1,2]benzothiazole
CID 169078108
10-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 134365347
9-(2,4-diphenylquinazolin-6-yl)-2-phenylnaphtho[2,1-g][1,3]benzoxazole
CID 163586917
2-phenyl-10-[4-phenyl-6-(7-phenylnaphthalen-2-yl)-1,3,5-triazin-2-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164747987
2-phenyl-10-[2-(2-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[3-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(3-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole;2-phenyl-10-[4-(4-phenylphenyl)phenyl]naphtho[2,1-g][1,3]benzoxazole
CID 161086065
2-benzo[c]phenanthren-2-yl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157427505
2-phenyl-10-[10-(3-phenylphenyl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164758486
N,4-diphenyl-N-[4-(2-phenylnaphtho[2,1-g][1,3]benzoxazol-10-yl)phenyl]aniline
CID 154030880
3,9-bis(3,5-diphenylphenyl)chrysene
CID 123616351
2-phenyl-10-[10-(7-phenylnaphthalen-2-yl)anthracen-9-yl]naphtho[2,1-g][1,3]benzoxazole
CID 164840444
2-(5-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087581

Frequently Asked Questions

What is the IUPAC name of 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole?
The IUPAC name of 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole (CID 169078132) is 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole.
What is the SMILES notation for 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole?
The canonical SMILES for 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole is c1ccc(-c2ccc3ccc4ccc5c(-c6ccccc6)noc5c4c3c2)cc1.
What is the InChIKey of 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole?
The InChIKey is KWPSXYPJPDXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17NO/c1-3-7-18(8-4-1)22-14-12-19-11-13-20-15-16-23-26(21-9-5-2-6-10-21)28-29-27(23)25(20)24(19)17-22/h1-17H.
What are the key properties of 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole?
3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole has a molecular weight of 371.44 g/mol, XLogP of 7.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenylnaphtho[2,1-g][1,2]benzoxazole is sourced from PubChem (CID 169078132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).