2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole

C38H22N4O2 — CID 86724828

IUPAC2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(-c4ccc5ncccc5c4)nc3c2)cc(-c2ccc3oc(-c4ccc5ncccc5c4)nc3c2)c1
InChIInChI=1S/C38H22N4O2/c1-4-23(25-10-14-35-33(21-25)41-37(43-35)29-8-12-31-27(19-29)6-2-16-39-31)18-24(5-1)26-11-15-36-34(22-26)42-38(44-36)30-9-13-32-28(20-30)7-3-17-40-32/h1-22H
InChIKeyICECTEUWONCSJD-UHFFFAOYSA-N
MW566.62 g/mol
LogP9.73
Rot. Bonds4

About 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole

2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole (PubChem CID 86724828) has the molecular formula C38H22N4O2 and a molecular weight of 566.62 g/mol. Its IUPAC name is 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole
PubChem CID86724828
Molecular FormulaC38H22N4O2
Molecular Weight566.62 g/mol
Exact Mass566.17
IUPAC Name2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole
SMILESc1cc(-c2ccc3oc(-c4ccc5ncccc5c4)nc3c2)cc(-c2ccc3oc(-c4ccc5ncccc5c4)nc3c2)c1
InChIInChI=1S/C38H22N4O2/c1-4-23(25-10-14-35-33(21-25)41-37(43-35)29-8-12-31-27(19-29)6-2-16-39-31)18-24(5-1)26-11-15-36-34(22-26)42-38(44-36)30-9-13-32-28(20-30)7-3-17-40-32/h1-22H
InChIKeyICECTEUWONCSJD-UHFFFAOYSA-N
XLogP9.73
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 59.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole (CID 86724828) is 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole is c1cc(-c2ccc3oc(-c4ccc5ncccc5c4)nc3c2)cc(-c2ccc3oc(-c4ccc5ncccc5c4)nc3c2)c1.
What is the InChIKey of 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole?
The InChIKey is ICECTEUWONCSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4O2/c1-4-23(25-10-14-35-33(21-25)41-37(43-35)29-8-12-31-27(19-29)6-2-16-39-31)18-24(5-1)26-11-15-36-34(22-26)42-38(44-36)30-9-13-32-28(20-30)7-3-17-40-32/h1-22H.
What are the key properties of 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole?
2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole has a molecular weight of 566.62 g/mol, XLogP of 9.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-6-yl-5-[3-(2-quinolin-6-yl-1,3-benzoxazol-5-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 86724828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).