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

C60H38N8O2 — CID 129148240

IUPAC10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5nc6ccncc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccncc32)cc1
InChIInChI=1S/C60H38N8O2/c1-3-15-43(16-4-1)67-53-37-61-29-27-47(53)63-59(67)41-31-39(33-45(35-41)65-49-19-7-11-23-55(49)69-56-24-12-8-20-50(56)65)40-32-42(60-64-48-28-30-62-38-54(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-51-21-9-13-25-57(51)70-58-26-14-10-22-52(58)66/h1-38H
InChIKeyYDVRIRUOLJUKIW-UHFFFAOYSA-N
MW903.02 g/mol
LogP15.31
Rot. Bonds7

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

10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148240) 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-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148240
Molecular FormulaC60H38N8O2
Molecular Weight903.02 g/mol
Exact Mass902.31
IUPAC Name10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3cc(-c4cc(-c5nc6ccncc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccncc32)cc1
InChIInChI=1S/C60H38N8O2/c1-3-15-43(16-4-1)67-53-37-61-29-27-47(53)63-59(67)41-31-39(33-45(35-41)65-49-19-7-11-23-55(49)69-56-24-12-8-20-50(56)65)40-32-42(60-64-48-28-30-62-38-54(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-51-21-9-13-25-57(51)70-58-26-14-10-22-52(58)66/h1-38H
InChIKeyYDVRIRUOLJUKIW-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

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (CID 129148240) is 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is c1ccc(-n2c(-c3cc(-c4cc(-c5nc6ccncc6n5-c5ccccc5)cc(N5c6ccccc6Oc6ccccc65)c4)cc(N4c5ccccc5Oc5ccccc54)c3)nc3ccncc32)cc1.
What is the InChIKey of 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is YDVRIRUOLJUKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N8O2/c1-3-15-43(16-4-1)67-53-37-61-29-27-47(53)63-59(67)41-31-39(33-45(35-41)65-49-19-7-11-23-55(49)69-56-24-12-8-20-50(56)65)40-32-42(60-64-48-28-30-62-38-54(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-51-21-9-13-25-57(51)70-58-26-14-10-22-52(58)66/h1-38H.
What are the key properties of 10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
10-[3-[3-phenoxazin-10-yl-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]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-c]pyridin-2-yl)phenyl]-5-(3-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).