10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine

C44H24F2N4O2 — CID 155678366

IUPAC10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine
SMILESFc1cc2nc3c4ccc(N5c6ccccc6Oc6ccccc65)cc4c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3nc2cc1F
InChIInChI=1S/C44H24F2N4O2/c45-31-23-33-34(24-32(31)46)48-44-28-20-18-26(50-37-11-3-7-15-41(37)52-42-16-8-4-12-38(42)50)22-30(28)29-21-25(17-19-27(29)43(44)47-33)49-35-9-1-5-13-39(35)51-40-14-6-2-10-36(40)49/h1-24H
InChIKeyNNMYDHLYJFGQCN-UHFFFAOYSA-N
MW678.70 g/mol
LogP12.52
Rot. Bonds2

About 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine

10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine (PubChem CID 155678366) has the molecular formula C44H24F2N4O2 and a molecular weight of 678.70 g/mol. Its IUPAC name is 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine.

Molecular Properties

Compound Name10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine
PubChem CID155678366
Molecular FormulaC44H24F2N4O2
Molecular Weight678.70 g/mol
Exact Mass678.19
IUPAC Name10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine
SMILESFc1cc2nc3c4ccc(N5c6ccccc6Oc6ccccc65)cc4c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3nc2cc1F
InChIInChI=1S/C44H24F2N4O2/c45-31-23-33-34(24-32(31)46)48-44-28-20-18-26(50-37-11-3-7-15-41(37)52-42-16-8-4-12-38(42)50)22-30(28)29-21-25(17-19-27(29)43(44)47-33)49-35-9-1-5-13-39(35)51-40-14-6-2-10-36(40)49/h1-24H
InChIKeyNNMYDHLYJFGQCN-UHFFFAOYSA-N
XLogP12.52
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.70
LogP ≤ 512.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6666_A(2)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine?
The IUPAC name of 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine (CID 155678366) is 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine.
What is the SMILES notation for 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine?
The canonical SMILES for 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine is Fc1cc2nc3c4ccc(N5c6ccccc6Oc6ccccc65)cc4c4cc(N5c6ccccc6Oc6ccccc65)ccc4c3nc2cc1F.
What is the InChIKey of 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine?
The InChIKey is NNMYDHLYJFGQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F2N4O2/c45-31-23-33-34(24-32(31)46)48-44-28-20-18-26(50-37-11-3-7-15-41(37)52-42-16-8-4-12-38(42)50)22-30(28)29-21-25(17-19-27(29)43(44)47-33)49-35-9-1-5-13-39(35)51-40-14-6-2-10-36(40)49/h1-24H.
What are the key properties of 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine?
10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine has a molecular weight of 678.70 g/mol, XLogP of 12.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(11,12-difluoro-6-phenoxazin-10-ylphenanthro[10,9-b]quinoxalin-3-yl)phenoxazine is sourced from PubChem (CID 155678366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).