4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole

C39H23NO2 — CID 174306972

IUPAC4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4c5ccccc5c(-c5coc6ccc7ccccc7c56)c5ccccc45)cccc3o2)cc1
InChIInChI=1S/C39H23NO2/c1-2-12-25(13-3-1)39-40-38-31(19-10-20-34(38)42-39)35-27-15-6-8-17-29(27)36(30-18-9-7-16-28(30)35)32-23-41-33-22-21-24-11-4-5-14-26(24)37(32)33/h1-23H
InChIKeyZXMKAHLSARSYLN-UHFFFAOYSA-N
MW537.62 g/mol
LogP11.03
Rot. Bonds3

About 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole

4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole (PubChem CID 174306972) has the molecular formula C39H23NO2 and a molecular weight of 537.62 g/mol. Its IUPAC name is 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole.

Molecular Properties

Compound Name4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole
PubChem CID174306972
Molecular FormulaC39H23NO2
Molecular Weight537.62 g/mol
Exact Mass537.17
IUPAC Name4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole
SMILESc1ccc(-c2nc3c(-c4c5ccccc5c(-c5coc6ccc7ccccc7c56)c5ccccc45)cccc3o2)cc1
InChIInChI=1S/C39H23NO2/c1-2-12-25(13-3-1)39-40-38-31(19-10-20-34(38)42-39)35-27-15-6-8-17-29(27)36(30-18-9-7-16-28(30)35)32-23-41-33-22-21-24-11-4-5-14-26(24)37(32)33/h1-23H
InChIKeyZXMKAHLSARSYLN-UHFFFAOYSA-N
XLogP11.03
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.62
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)dibenzofuran
CID 174306507
1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran
CID 174306635
2-phenyl-9-[10-(7-phenylnaphthalen-1-yl)anthracen-9-yl]naphtho[1,2-e][1,3]benzoxazole
CID 164840377
9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[e][1,3]benzoxazole
CID 176764343
4-[1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]-2-phenyl-1,3-benzoxazole
CID 174332961
7-bromo-1-(2-phenyl-1,3-benzoxazol-4-yl)naphthalene-2-thiol
CID 177086330
2-(10-dibenzofuran-1-ylanthracen-9-yl)-1-phenylbenzo[e][1]benzofuran
CID 174307533
11-[10-(3,5-diphenylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 155205291
4-naphthalen-1-yl-N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-7-yl)phenyl]aniline
CID 167125084
1-(2-methylnaphthalen-1-yl)benzo[e][1]benzofuran
CID 175881286
2-(3-methylphenyl)benzo[e][1,3]benzoxazole
CID 95911000
1-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[3,2-e][1]benzofuran
CID 176744543

Frequently Asked Questions

What is the IUPAC name of 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole?
The IUPAC name of 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole (CID 174306972) is 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole.
What is the SMILES notation for 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole?
The canonical SMILES for 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole is c1ccc(-c2nc3c(-c4c5ccccc5c(-c5coc6ccc7ccccc7c56)c5ccccc45)cccc3o2)cc1.
What is the InChIKey of 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole?
The InChIKey is ZXMKAHLSARSYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H23NO2/c1-2-12-25(13-3-1)39-40-38-31(19-10-20-34(38)42-39)35-27-15-6-8-17-29(27)36(30-18-9-7-16-28(30)35)32-23-41-33-22-21-24-11-4-5-14-26(24)37(32)33/h1-23H.
What are the key properties of 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole?
4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole has a molecular weight of 537.62 g/mol, XLogP of 11.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(10-benzo[e][1]benzofuran-1-ylanthracen-9-yl)-2-phenyl-1,3-benzoxazole is sourced from PubChem (CID 174306972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).