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

C62H53NO — CID 58251251

IUPAC10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine
SMILESCCc1ccc(-c2cc(-c3ccc(CC)cc3)cc(-c3cc(-c4cc(-c5ccc(CC)cc5)cc(-c5ccc(CC)cc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)c2)cc1
InChIInChI=1S/C62H53NO/c1-5-42-17-25-46(26-18-42)50-33-51(47-27-19-43(6-2)20-28-47)36-54(35-50)56-39-57(41-58(40-56)63-59-13-9-11-15-61(59)64-62-16-12-10-14-60(62)63)55-37-52(48-29-21-44(7-3)22-30-48)34-53(38-55)49-31-23-45(8-4)24-32-49/h9-41H,5-8H2,1-4H3
InChIKeyYASYOVKFKJCPHD-UHFFFAOYSA-N
MW828.11 g/mol
LogP17.51
Rot. Bonds11

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

10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine (PubChem CID 58251251) has the molecular formula C62H53NO and a molecular weight of 828.11 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine
PubChem CID58251251
Molecular FormulaC62H53NO
Molecular Weight828.11 g/mol
Exact Mass827.41
IUPAC Name10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine
SMILESCCc1ccc(-c2cc(-c3ccc(CC)cc3)cc(-c3cc(-c4cc(-c5ccc(CC)cc5)cc(-c5ccc(CC)cc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)c2)cc1
InChIInChI=1S/C62H53NO/c1-5-42-17-25-46(26-18-42)50-33-51(47-27-19-43(6-2)20-28-47)36-54(35-50)56-39-57(41-58(40-56)63-59-13-9-11-15-61(59)64-62-16-12-10-14-60(62)63)55-37-52(48-29-21-44(7-3)22-30-48)34-53(38-55)49-31-23-45(8-4)24-32-49/h9-41H,5-8H2,1-4H3
InChIKeyYASYOVKFKJCPHD-UHFFFAOYSA-N
XLogP17.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.11
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine (CID 58251251) is 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine is CCc1ccc(-c2cc(-c3ccc(CC)cc3)cc(-c3cc(-c4cc(-c5ccc(CC)cc5)cc(-c5ccc(CC)cc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)c2)cc1.
What is the InChIKey of 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine?
The InChIKey is YASYOVKFKJCPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53NO/c1-5-42-17-25-46(26-18-42)50-33-51(47-27-19-43(6-2)20-28-47)36-54(35-50)56-39-57(41-58(40-56)63-59-13-9-11-15-61(59)64-62-16-12-10-14-60(62)63)55-37-52(48-29-21-44(7-3)22-30-48)34-53(38-55)49-31-23-45(8-4)24-32-49/h9-41H,5-8H2,1-4H3.
What are the key properties of 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine?
10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine has a molecular weight of 828.11 g/mol, XLogP of 17.51, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis[3,5-bis(4-ethylphenyl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 58251251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).