10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine

C42H27N7O — CID 129148037

IUPAC10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4nc5ncccc5n4-c4ccccc4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ncccc32)cc1
InChIInChI=1S/C42H27N7O/c1-3-13-30(14-4-1)48-35-19-11-23-43-39(35)45-41(48)28-25-29(42-46-40-36(20-12-24-44-40)49(42)31-15-5-2-6-16-31)27-32(26-28)47-33-17-7-9-21-37(33)50-38-22-10-8-18-34(38)47/h1-27H
InChIKeyKVKHIBPAWCKLNQ-UHFFFAOYSA-N
MW645.73 g/mol
LogP10.06
Rot. Bonds5

About 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine

10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148037) has the molecular formula C42H27N7O and a molecular weight of 645.73 g/mol. Its IUPAC name is 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148037
Molecular FormulaC42H27N7O
Molecular Weight645.73 g/mol
Exact Mass645.23
IUPAC Name10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4nc5ncccc5n4-c4ccccc4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ncccc32)cc1
InChIInChI=1S/C42H27N7O/c1-3-13-30(14-4-1)48-35-19-11-23-43-39(35)45-41(48)28-25-29(42-46-40-36(20-12-24-44-40)49(42)31-15-5-2-6-16-31)27-32(26-28)47-33-17-7-9-21-37(33)50-38-22-10-8-18-34(38)47/h1-27H
InChIKeyKVKHIBPAWCKLNQ-UHFFFAOYSA-N
XLogP10.06
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.73
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (CID 129148037) is 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3cc(-c4nc5ncccc5n4-c4ccccc4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ncccc32)cc1.
What is the InChIKey of 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is KVKHIBPAWCKLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27N7O/c1-3-13-30(14-4-1)48-35-19-11-23-43-39(35)45-41(48)28-25-29(42-46-40-36(20-12-24-44-40)49(42)31-15-5-2-6-16-31)27-32(26-28)47-33-17-7-9-21-37(33)50-38-22-10-8-18-34(38)47/h1-27H.
What are the key properties of 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 645.73 g/mol, XLogP of 10.06, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis(1-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).