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

C42H26N4O3 — CID 121245052

IUPAC10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)c4ccccc34)no2)cc1
InChIInChI=1S/C42H26N4O3/c1-2-12-30-29(11-1)31(25-26-32(30)46-35-15-5-9-19-39(35)48-40-20-10-6-16-36(40)46)41-43-42(49-44-41)27-21-23-28(24-22-27)45-33-13-3-7-17-37(33)47-38-18-8-4-14-34(38)45/h1-26H
InChIKeyYKMWEFXSCXMXBF-UHFFFAOYSA-N
MW634.70 g/mol
LogP11.71
Rot. Bonds4

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

10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine (PubChem CID 121245052) has the molecular formula C42H26N4O3 and a molecular weight of 634.70 g/mol. Its IUPAC name is 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine
PubChem CID121245052
Molecular FormulaC42H26N4O3
Molecular Weight634.70 g/mol
Exact Mass634.20
IUPAC Name10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)c4ccccc34)no2)cc1
InChIInChI=1S/C42H26N4O3/c1-2-12-30-29(11-1)31(25-26-32(30)46-35-15-5-9-19-39(35)48-40-20-10-6-16-36(40)46)41-43-42(49-44-41)27-21-23-28(24-22-27)45-33-13-3-7-17-37(33)47-38-18-8-4-14-34(38)45/h1-26H
InChIKeyYKMWEFXSCXMXBF-UHFFFAOYSA-N
XLogP11.71
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.70
LogP ≤ 511.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine (CID 121245052) is 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)c4ccccc34)no2)cc1.
What is the InChIKey of 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine?
The InChIKey is YKMWEFXSCXMXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N4O3/c1-2-12-30-29(11-1)31(25-26-32(30)46-35-15-5-9-19-39(35)48-40-20-10-6-16-36(40)46)41-43-42(49-44-41)27-21-23-28(24-22-27)45-33-13-3-7-17-37(33)47-38-18-8-4-14-34(38)45/h1-26H.
What are the key properties of 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine?
10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine has a molecular weight of 634.70 g/mol, XLogP of 11.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(4-phenoxazin-10-ylnaphthalen-1-yl)-1,2,4-oxadiazol-5-yl]phenyl]phenoxazine is sourced from PubChem (CID 121245052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).