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

C50H33N5O — CID 58251192

IUPAC10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine
SMILESc1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)c2)c1
InChIInChI=1S/C50H33N5O/c1-3-15-49-47(13-1)55(48-14-2-4-16-50(48)56-49)46-28-44(42-23-38(34-9-5-17-51-30-34)21-39(24-42)35-10-6-18-52-31-35)27-45(29-46)43-25-40(36-11-7-19-53-32-36)22-41(26-43)37-12-8-20-54-33-37/h1-33H
InChIKeyPLCPNZRLIMTAMD-UHFFFAOYSA-N
MW719.85 g/mol
LogP12.84
Rot. Bonds7

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

10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine (PubChem CID 58251192) 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-3-ylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine
PubChem CID58251192
Molecular FormulaC50H33N5O
Molecular Weight719.85 g/mol
Exact Mass719.27
IUPAC Name10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine
SMILESc1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)c2)c1
InChIInChI=1S/C50H33N5O/c1-3-15-49-47(13-1)55(48-14-2-4-16-50(48)56-49)46-28-44(42-23-38(34-9-5-17-51-30-34)21-39(24-42)35-10-6-18-52-31-35)27-45(29-46)43-25-40(36-11-7-19-53-32-36)22-41(26-43)37-12-8-20-54-33-37/h1-33H
InChIKeyPLCPNZRLIMTAMD-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-3-ylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine (CID 58251192) is 10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine is c1cncc(-c2cc(-c3cccnc3)cc(-c3cc(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cc(N4c5ccccc5Oc5ccccc54)c3)c2)c1.
What is the InChIKey of 10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine?
The InChIKey is PLCPNZRLIMTAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N5O/c1-3-15-49-47(13-1)55(48-14-2-4-16-50(48)56-49)46-28-44(42-23-38(34-9-5-17-51-30-34)21-39(24-42)35-10-6-18-52-31-35)27-45(29-46)43-25-40(36-11-7-19-53-32-36)22-41(26-43)37-12-8-20-54-33-37/h1-33H.
What are the key properties of 10-[3,5-bis(3,5-dipyridin-3-ylphenyl)phenyl]phenoxazine?
10-[3,5-bis(3,5-dipyridin-3-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-3-ylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 58251192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).