10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine

C33H22N4O — CID 139052252

IUPAC10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C33H22N4O/c1-3-13-32-30(11-1)37(31-12-2-4-14-33(31)38-32)25-17-15-23(16-18-25)24-21-28(26-9-5-7-19-34-26)36-29(22-24)27-10-6-8-20-35-27/h1-22H
InChIKeyCMFHVEVFJWUQSU-UHFFFAOYSA-N
MW490.57 g/mol
LogP8.45
Rot. Bonds4

About 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine

10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine (PubChem CID 139052252) has the molecular formula C33H22N4O and a molecular weight of 490.57 g/mol. Its IUPAC name is 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine
PubChem CID139052252
Molecular FormulaC33H22N4O
Molecular Weight490.57 g/mol
Exact Mass490.18
IUPAC Name10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine
SMILESc1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C33H22N4O/c1-3-13-32-30(11-1)37(31-12-2-4-14-33(31)38-32)25-17-15-23(16-18-25)24-21-28(26-9-5-7-19-34-26)36-29(22-24)27-10-6-8-20-35-27/h1-22H
InChIKeyCMFHVEVFJWUQSU-UHFFFAOYSA-N
XLogP8.45
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 58.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine (CID 139052252) is 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine is c1ccc(-c2cc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine?
The InChIKey is CMFHVEVFJWUQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22N4O/c1-3-13-32-30(11-1)37(31-12-2-4-14-33(31)38-32)25-17-15-23(16-18-25)24-21-28(26-9-5-7-19-34-26)36-29(22-24)27-10-6-8-20-35-27/h1-22H.
What are the key properties of 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine?
10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine has a molecular weight of 490.57 g/mol, XLogP of 8.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenoxazine is sourced from PubChem (CID 139052252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).