10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine

C50H33N5O — CID 58251198

IUPAC10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C50H33N5O/c1-3-19-49-47(17-1)55(48-18-2-4-20-50(48)56-49)42-32-36(34-26-38(43-13-5-9-21-51-43)30-39(27-34)44-14-6-10-22-52-44)25-37(33-42)35-28-40(45-15-7-11-23-53-45)31-41(29-35)46-16-8-12-24-54-46/h1-33H
InChIKeyPNFACDRVNFQRFS-UHFFFAOYSA-N
MW719.85 g/mol
LogP12.84
Rot. Bonds7

About 10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine

10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine (PubChem CID 58251198) 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-2-ylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine
PubChem CID58251198
Molecular FormulaC50H33N5O
Molecular Weight719.85 g/mol
Exact Mass719.27
IUPAC Name10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C50H33N5O/c1-3-19-49-47(17-1)55(48-18-2-4-20-50(48)56-49)42-32-36(34-26-38(43-13-5-9-21-51-43)30-39(27-34)44-14-6-10-22-52-44)25-37(33-42)35-28-40(45-15-7-11-23-53-45)31-41(29-35)46-16-8-12-24-54-46/h1-33H
InChIKeyPNFACDRVNFQRFS-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-2-ylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine (CID 58251198) is 10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine is c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)cc(-c3ccccn3)c2)nc1.
What is the InChIKey of 10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine?
The InChIKey is PNFACDRVNFQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5O/c1-3-19-49-47(17-1)55(48-18-2-4-20-50(48)56-49)42-32-36(34-26-38(43-13-5-9-21-51-43)30-39(27-34)44-14-6-10-22-52-44)25-37(33-42)35-28-40(45-15-7-11-23-53-45)31-41(29-35)46-16-8-12-24-54-46/h1-33H.
What are the key properties of 10-[3,5-bis(3,5-dipyridin-2-ylphenyl)phenyl]phenoxazine?
10-[3,5-bis(3,5-dipyridin-2-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-2-ylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 58251198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).