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

C60H38N8O2 — CID 129148225

IUPAC10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5nc6cccnc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3cccnc32)cc1
InChIInChI=1S/C60H38N8O2/c1-3-17-43(18-4-1)67-57(63-47-21-15-31-61-59(47)67)41-33-39(35-45(37-41)65-49-23-7-11-27-53(49)69-54-28-12-8-24-50(54)65)40-34-42(58-64-48-22-16-32-62-60(48)68(58)44-19-5-2-6-20-44)38-46(36-40)66-51-25-9-13-29-55(51)70-56-30-14-10-26-52(56)66/h1-38H
InChIKeyIBIRHOCPLOOGCQ-UHFFFAOYSA-N
MW903.02 g/mol
LogP15.31
Rot. Bonds7

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

10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148225) has the molecular formula C60H38N8O2 and a molecular weight of 903.02 g/mol. Its IUPAC name is 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148225
Molecular FormulaC60H38N8O2
Molecular Weight903.02 g/mol
Exact Mass902.31
IUPAC Name10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5nc6cccnc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3cccnc32)cc1
InChIInChI=1S/C60H38N8O2/c1-3-17-43(18-4-1)67-57(63-47-21-15-31-61-59(47)67)41-33-39(35-45(37-41)65-49-23-7-11-27-53(49)69-54-28-12-8-24-50(54)65)40-34-42(58-64-48-22-16-32-62-60(48)68(58)44-19-5-2-6-20-44)38-46(36-40)66-51-25-9-13-29-55(51)70-56-30-14-10-26-52(56)66/h1-38H
InChIKeyIBIRHOCPLOOGCQ-UHFFFAOYSA-N
XLogP15.31
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.02
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine (CID 129148225) is 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3cc(-c4cc(-c5nc6cccnc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3cccnc32)cc1.
What is the InChIKey of 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is IBIRHOCPLOOGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8O2/c1-3-17-43(18-4-1)67-57(63-47-21-15-31-61-59(47)67)41-33-39(35-45(37-41)65-49-23-7-11-27-53(49)69-54-28-12-8-24-50(54)65)40-34-42(58-64-48-22-16-32-62-60(48)68(58)44-19-5-2-6-20-44)38-46(36-40)66-51-25-9-13-29-55(51)70-56-30-14-10-26-52(56)66/h1-38H.
What are the key properties of 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine?
10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 903.02 g/mol, XLogP of 15.31, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).