2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole

C26H18N2O2 — CID 118531011

IUPAC2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
SMILESCc1ccc(-c2nc3ccc4c(ccc5nc(-c6ccc(C)cc6)oc54)c3o2)cc1
InChIInChI=1S/C26H18N2O2/c1-15-3-7-17(8-4-15)25-27-21-13-11-20-19(23(21)29-25)12-14-22-24(20)30-26(28-22)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyGKHCOQGPKQPKGL-UHFFFAOYSA-N
MW390.44 g/mol
LogP7.07
Rot. Bonds2

About 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole

2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole (PubChem CID 118531011) has the molecular formula C26H18N2O2 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole.

Molecular Properties

Compound Name2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
PubChem CID118531011
Molecular FormulaC26H18N2O2
Molecular Weight390.44 g/mol
Exact Mass390.14
IUPAC Name2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
SMILESCc1ccc(-c2nc3ccc4c(ccc5nc(-c6ccc(C)cc6)oc54)c3o2)cc1
InChIInChI=1S/C26H18N2O2/c1-15-3-7-17(8-4-15)25-27-21-13-11-20-19(23(21)29-25)12-14-22-24(20)30-26(28-22)18-9-5-16(2)6-10-18/h3-14H,1-2H3
InChIKeyGKHCOQGPKQPKGL-UHFFFAOYSA-N
XLogP7.07
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.44
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-hexoxyphenyl)-7-(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531033
2-(4-methylphenyl)-[1,3]oxazolo[4,5-c]quinoline
CID 4541188
2,7-dimethyl-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole
CID 118531010
5,7-difluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82232090
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
6,7-dimethyl-2-(4-propan-2-ylphenyl)-1,3-benzoxazole
CID 95910925
7-bromo-5-fluoro-2-(4-methylphenyl)-1,3-benzoxazole
CID 82095604
2-(4-methoxyphenyl)-6-methylpyrano[3,2-g][1,3]benzoxazol-8-one
CID 134912266
2-(3,5-dimethylphenyl)-6,7-dimethyl-1,3-benzoxazole
CID 95910920
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
7-ethyl-2-phenylbenzo[g][1,3]benzoxazole
CID 164898492
2-(4-dibenzothiophen-4-ylphenyl)-7-(4-methylphenyl)-1,3-benzoxazole
CID 67888447

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole?
The IUPAC name of 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole (CID 118531011) is 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole.
What is the SMILES notation for 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole?
The canonical SMILES for 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole is Cc1ccc(-c2nc3ccc4c(ccc5nc(-c6ccc(C)cc6)oc54)c3o2)cc1.
What is the InChIKey of 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole?
The InChIKey is GKHCOQGPKQPKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2O2/c1-15-3-7-17(8-4-15)25-27-21-13-11-20-19(23(21)29-25)12-14-22-24(20)30-26(28-22)18-9-5-16(2)6-10-18/h3-14H,1-2H3.
What are the key properties of 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole?
2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole has a molecular weight of 390.44 g/mol, XLogP of 7.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(4-methylphenyl)-[1,3]benzoxazolo[7,6-g][1,3]benzoxazole is sourced from PubChem (CID 118531011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).