10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine

C30H20N4O — CID 23527736

IUPAC10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cccnc32)cc1
InChIInChI=1S/C30H20N4O/c1-2-9-22(10-3-1)34-29(32-24-11-8-20-31-30(24)34)21-16-18-23(19-17-21)33-25-12-4-6-14-27(25)35-28-15-7-5-13-26(28)33/h1-20H
InChIKeyLPKLEOMWMSJNTE-UHFFFAOYSA-N
MW452.52 g/mol
LogP7.66
Rot. Bonds3

About 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine

10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 23527736) has the molecular formula C30H20N4O and a molecular weight of 452.52 g/mol. Its IUPAC name is 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
PubChem CID23527736
Molecular FormulaC30H20N4O
Molecular Weight452.52 g/mol
Exact Mass452.16
IUPAC Name10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cccnc32)cc1
InChIInChI=1S/C30H20N4O/c1-2-9-22(10-3-1)34-29(32-24-11-8-20-31-30(24)34)21-16-18-23(19-17-21)33-25-12-4-6-14-27(25)35-28-15-7-5-13-26(28)33/h1-20H
InChIKeyLPKLEOMWMSJNTE-UHFFFAOYSA-N
XLogP7.66
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.52
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (CID 23527736) is 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cccnc32)cc1.
What is the InChIKey of 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is LPKLEOMWMSJNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20N4O/c1-2-9-22(10-3-1)34-29(32-24-11-8-20-31-30(24)34)21-16-18-23(19-17-21)33-25-12-4-6-14-27(25)35-28-15-7-5-13-26(28)33/h1-20H.
What are the key properties of 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 452.52 g/mol, XLogP of 7.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 23527736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).