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

C50H33N5O — CID 58251214

IUPAC10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1
InChIInChI=1S/C50H33N5O/c1-3-7-49-47(5-1)55(48-6-2-4-8-50(48)56-49)46-32-44(42-27-38(34-9-17-51-18-10-34)25-39(28-42)35-11-19-52-20-12-35)31-45(33-46)43-29-40(36-13-21-53-22-14-36)26-41(30-43)37-15-23-54-24-16-37/h1-33H
InChIKeyYJFGAEIYRAKLEL-UHFFFAOYSA-N
MW719.85 g/mol
LogP12.84
Rot. Bonds7

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

10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine (PubChem CID 58251214) has the molecular formula C50H33N5O and a molecular weight of 719.85 g/mol. Its IUPAC name is 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine
PubChem CID58251214
Molecular FormulaC50H33N5O
Molecular Weight719.85 g/mol
Exact Mass719.27
IUPAC Name10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1
InChIInChI=1S/C50H33N5O/c1-3-7-49-47(5-1)55(48-6-2-4-8-50(48)56-49)46-32-44(42-27-38(34-9-17-51-18-10-34)25-39(28-42)35-11-19-52-20-12-35)31-45(33-46)43-29-40(36-13-21-53-22-14-36)26-41(30-43)37-15-23-54-24-16-37/h1-33H
InChIKeyYJFGAEIYRAKLEL-UHFFFAOYSA-N
XLogP12.84
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.85
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine (CID 58251214) is 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)cc(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c1.
What is the InChIKey of 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine?
The InChIKey is YJFGAEIYRAKLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5O/c1-3-7-49-47(5-1)55(48-6-2-4-8-50(48)56-49)46-32-44(42-27-38(34-9-17-51-18-10-34)25-39(28-42)35-11-19-52-20-12-35)31-45(33-46)43-29-40(36-13-21-53-22-14-36)26-41(30-43)37-15-23-54-24-16-37/h1-33H.
What are the key properties of 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine?
10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine has a molecular weight of 719.85 g/mol, XLogP of 12.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis(3,5-dipyridin-4-ylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 58251214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).