7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole

C25H14ClNO2 — CID 167123613

IUPAC7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESClc1cccc2c1oc1ccc3nc(-c4ccc(-c5ccccc5)cc4)oc3c12
InChIInChI=1S/C25H14ClNO2/c26-19-8-4-7-18-22-21(28-23(18)19)14-13-20-24(22)29-25(27-20)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14H
InChIKeyORAIRUJHWIRBPA-UHFFFAOYSA-N
MW395.85 g/mol
LogP7.71
Rot. Bonds2

About 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole

7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole (PubChem CID 167123613) has the molecular formula C25H14ClNO2 and a molecular weight of 395.85 g/mol. Its IUPAC name is 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole.

Molecular Properties

Compound Name7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole
PubChem CID167123613
Molecular FormulaC25H14ClNO2
Molecular Weight395.85 g/mol
Exact Mass395.07
IUPAC Name7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole
SMILESClc1cccc2c1oc1ccc3nc(-c4ccc(-c5ccccc5)cc4)oc3c12
InChIInChI=1S/C25H14ClNO2/c26-19-8-4-7-18-22-21(28-23(18)19)14-13-20-24(22)29-25(27-20)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14H
InChIKeyORAIRUJHWIRBPA-UHFFFAOYSA-N
XLogP7.71
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.85
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167122967
8-chloro-3-phenylnaphtho[2,1-b][1]benzofuran
CID 155335388
7-chloro-2-phenyl-[1]benzofuro[2,3-g][1,3]benzothiazole
CID 167123681
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 174288773
5-phenyl-19-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-4,11-dioxa-6-azapentacyclo[10.8.0.02,10.03,7.013,18]icosa-1(12),2(10),3(7),5,8,13,15,17,19-nonaene
CID 177085976
5-phenyl-16-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]-4,14-dioxa-6-azapentacyclo[11.7.0.02,10.03,7.015,20]icosa-1(13),2(10),3(7),5,8,11,15(20),16,18-nonaene
CID 176647036
18-(5-chloronaphthalen-1-yl)-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631270
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 170395497
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
N-dibenzofuran-1-yl-2-phenyl-N-[4-(2-phenylphenyl)phenyl]-[1]benzofuro[2,3-g][1,3]benzoxazol-8-amine
CID 167124589

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole?
The IUPAC name of 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole (CID 167123613) is 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole.
What is the SMILES notation for 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole?
The canonical SMILES for 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole is Clc1cccc2c1oc1ccc3nc(-c4ccc(-c5ccccc5)cc4)oc3c12.
What is the InChIKey of 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole?
The InChIKey is ORAIRUJHWIRBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14ClNO2/c26-19-8-4-7-18-22-21(28-23(18)19)14-13-20-24(22)29-25(27-20)17-11-9-16(10-12-17)15-5-2-1-3-6-15/h1-14H.
What are the key properties of 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole?
7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole has a molecular weight of 395.85 g/mol, XLogP of 7.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazole is sourced from PubChem (CID 167123613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).