10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine

C60H39N3O3 — CID 54441009

IUPAC10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2)cc1
InChIInChI=1S/C60H39N3O3/c1-7-19-55-49(13-1)61(50-14-2-8-20-56(50)64-55)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-51-15-3-9-21-57(51)65-58-22-10-4-16-52(58)62)39-45(38-43)42-29-35-48(36-30-42)63-53-17-5-11-23-59(53)66-60-24-12-6-18-54(60)63/h1-39H
InChIKeyWOBVGEPMGDFYOC-UHFFFAOYSA-N
MW849.99 g/mol
LogP17.41
Rot. Bonds6

About 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine

10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine (PubChem CID 54441009) has the molecular formula C60H39N3O3 and a molecular weight of 849.99 g/mol. Its IUPAC name is 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
PubChem CID54441009
Molecular FormulaC60H39N3O3
Molecular Weight849.99 g/mol
Exact Mass849.30
IUPAC Name10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2)cc1
InChIInChI=1S/C60H39N3O3/c1-7-19-55-49(13-1)61(50-14-2-8-20-56(50)64-55)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-51-15-3-9-21-57(51)65-58-22-10-4-16-52(58)62)39-45(38-43)42-29-35-48(36-30-42)63-53-17-5-11-23-59(53)66-60-24-12-6-18-54(60)63/h1-39H
InChIKeyWOBVGEPMGDFYOC-UHFFFAOYSA-N
XLogP17.41
TPSA37.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.99
LogP ≤ 517.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine (CID 54441009) is 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c2)cc1.
What is the InChIKey of 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
The InChIKey is WOBVGEPMGDFYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39N3O3/c1-7-19-55-49(13-1)61(50-14-2-8-20-56(50)64-55)46-31-25-40(26-32-46)43-37-44(41-27-33-47(34-28-41)62-51-15-3-9-21-57(51)65-58-22-10-4-16-52(58)62)39-45(38-43)42-29-35-48(36-30-42)63-53-17-5-11-23-59(53)66-60-24-12-6-18-54(60)63/h1-39H.
What are the key properties of 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine?
10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine has a molecular weight of 849.99 g/mol, XLogP of 17.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3,5-bis(4-phenoxazin-10-ylphenyl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 54441009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).