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

C60H40N8O2 — CID 129148228

IUPAC10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESC1=CC2=C(CC1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4n3-c3ccccc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cnccc3n2-c2ccccc2)c1
InChIInChI=1S/C60H40N8O2/c1-3-15-43(16-4-1)67-49-27-29-61-37-47(49)63-59(67)41-31-39(33-45(35-41)65-51-19-7-11-23-55(51)69-56-24-12-8-20-52(56)65)40-32-42(60-64-48-38-62-30-28-50(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-53-21-9-13-25-57(53)70-58-26-14-10-22-54(58)66/h1-13,15-25,27-38H,14,26H2
InChIKeyOCNMVRBFZBQRHK-UHFFFAOYSA-N
MW905.03 g/mol
LogP14.82
Rot. Bonds7

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

10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148228) has the molecular formula C60H40N8O2 and a molecular weight of 905.03 g/mol. Its IUPAC name is 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148228
Molecular FormulaC60H40N8O2
Molecular Weight905.03 g/mol
Exact Mass904.33
IUPAC Name10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
SMILESC1=CC2=C(CC1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4n3-c3ccccc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cnccc3n2-c2ccccc2)c1
InChIInChI=1S/C60H40N8O2/c1-3-15-43(16-4-1)67-49-27-29-61-37-47(49)63-59(67)41-31-39(33-45(35-41)65-51-19-7-11-23-55(51)69-56-24-12-8-20-52(56)65)40-32-42(60-64-48-38-62-30-28-50(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-53-21-9-13-25-57(53)70-58-26-14-10-22-54(58)66/h1-13,15-25,27-38H,14,26H2
InChIKeyOCNMVRBFZBQRHK-UHFFFAOYSA-N
XLogP14.82
TPSA86.36 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.03
LogP ≤ 514.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine (CID 129148228) is 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is C1=CC2=C(CC1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4cnccc4n3-c3ccccc3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3cnccc3n2-c2ccccc2)c1.
What is the InChIKey of 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is OCNMVRBFZBQRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N8O2/c1-3-15-43(16-4-1)67-49-27-29-61-37-47(49)63-59(67)41-31-39(33-45(35-41)65-51-19-7-11-23-55(51)69-56-24-12-8-20-52(56)65)40-32-42(60-64-48-38-62-30-28-50(48)68(60)44-17-5-2-6-18-44)36-46(34-40)66-53-21-9-13-25-57(53)70-58-26-14-10-22-54(58)66/h1-13,15-25,27-38H,14,26H2.
What are the key properties of 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine?
10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 905.03 g/mol, XLogP of 14.82, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-[3-(3,4-dihydrophenoxazin-10-yl)-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]-5-(1-phenylimidazo[4,5-c]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).