10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine

C44H26F2N4O2 — CID 139188327

IUPAC10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
SMILESFc1cc2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc2cc1F
InChIInChI=1S/C44H26F2N4O2/c45-31-25-33-34(26-32(31)46)48-44(28-19-23-30(24-20-28)50-37-11-3-7-15-41(37)52-42-16-8-4-12-38(42)50)43(47-33)27-17-21-29(22-18-27)49-35-9-1-5-13-39(35)51-40-14-6-2-10-36(40)49/h1-26H
InChIKeyIGBDYUYERXXVAW-UHFFFAOYSA-N
MW680.71 g/mol
LogP12.39
Rot. Bonds4

About 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine

10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine (PubChem CID 139188327) has the molecular formula C44H26F2N4O2 and a molecular weight of 680.71 g/mol. Its IUPAC name is 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
PubChem CID139188327
Molecular FormulaC44H26F2N4O2
Molecular Weight680.71 g/mol
Exact Mass680.20
IUPAC Name10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine
SMILESFc1cc2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc2cc1F
InChIInChI=1S/C44H26F2N4O2/c45-31-25-33-34(26-32(31)46)48-44(28-19-23-30(24-20-28)50-37-11-3-7-15-41(37)52-42-16-8-4-12-38(42)50)43(47-33)27-17-21-29(22-18-27)49-35-9-1-5-13-39(35)51-40-14-6-2-10-36(40)49/h1-26H
InChIKeyIGBDYUYERXXVAW-UHFFFAOYSA-N
XLogP12.39
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.71
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine (CID 139188327) is 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine is Fc1cc2nc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc2cc1F.
What is the InChIKey of 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine?
The InChIKey is IGBDYUYERXXVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26F2N4O2/c45-31-25-33-34(26-32(31)46)48-44(28-19-23-30(24-20-28)50-37-11-3-7-15-41(37)52-42-16-8-4-12-38(42)50)43(47-33)27-17-21-29(22-18-27)49-35-9-1-5-13-39(35)51-40-14-6-2-10-36(40)49/h1-26H.
What are the key properties of 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine?
10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine has a molecular weight of 680.71 g/mol, XLogP of 12.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[6,7-difluoro-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 139188327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).