10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine

C44H29N3O2 — CID 59228459

IUPAC10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3)o2)cc1
InChIInChI=1S/C44H29N3O2/c1-2-12-32(13-3-1)43-45-46-44(49-43)33-24-22-30(23-25-33)35-14-4-6-16-37(35)38-17-7-5-15-36(38)31-26-28-34(29-27-31)47-39-18-8-10-20-41(39)48-42-21-11-9-19-40(42)47/h1-29H
InChIKeyAFELDHXELNPLQD-UHFFFAOYSA-N
MW631.74 g/mol
LogP11.98
Rot. Bonds6

About 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine

10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine (PubChem CID 59228459) has the molecular formula C44H29N3O2 and a molecular weight of 631.74 g/mol. Its IUPAC name is 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine
PubChem CID59228459
Molecular FormulaC44H29N3O2
Molecular Weight631.74 g/mol
Exact Mass631.23
IUPAC Name10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine
SMILESc1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3)o2)cc1
InChIInChI=1S/C44H29N3O2/c1-2-12-32(13-3-1)43-45-46-44(49-43)33-24-22-30(23-25-33)35-14-4-6-16-37(35)38-17-7-5-15-36(38)31-26-28-34(29-27-31)47-39-18-8-10-20-41(39)48-42-21-11-9-19-40(42)47/h1-29H
InChIKeyAFELDHXELNPLQD-UHFFFAOYSA-N
XLogP11.98
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.74
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine (CID 59228459) is 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine is c1ccc(-c2nnc(-c3ccc(-c4ccccc4-c4ccccc4-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3)o2)cc1.
What is the InChIKey of 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine?
The InChIKey is AFELDHXELNPLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H29N3O2/c1-2-12-32(13-3-1)43-45-46-44(49-43)33-24-22-30(23-25-33)35-14-4-6-16-37(35)38-17-7-5-15-36(38)31-26-28-34(29-27-31)47-39-18-8-10-20-41(39)48-42-21-11-9-19-40(42)47/h1-29H.
What are the key properties of 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine?
10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine has a molecular weight of 631.74 g/mol, XLogP of 11.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenoxazine is sourced from PubChem (CID 59228459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).