10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine

C37H23N3O2 — CID 59183706

IUPAC10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Oc3ccccc32)c2ncccc12
InChIInChI=1S/C37H23N3O2/c1-2-13-25-24(12-1)36(39-27-15-3-7-19-31(27)41-32-20-8-4-16-28(32)39)26-14-11-23-38-35(26)37(25)40-29-17-5-9-21-33(29)42-34-22-10-6-18-30(34)40/h1-23H
InChIKeyGJGXJAYRHLBYCC-UHFFFAOYSA-N
MW541.61 g/mol
LogP10.54
Rot. Bonds2

About 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine

10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine (PubChem CID 59183706) has the molecular formula C37H23N3O2 and a molecular weight of 541.61 g/mol. Its IUPAC name is 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine.

Molecular Properties

Compound Name10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine
PubChem CID59183706
Molecular FormulaC37H23N3O2
Molecular Weight541.61 g/mol
Exact Mass541.18
IUPAC Name10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Oc3ccccc32)c2ncccc12
InChIInChI=1S/C37H23N3O2/c1-2-13-25-24(12-1)36(39-27-15-3-7-19-31(27)41-32-20-8-4-16-28(32)39)26-14-11-23-38-35(26)37(25)40-29-17-5-9-21-33(29)42-34-22-10-6-18-30(34)40/h1-23H
InChIKeyGJGXJAYRHLBYCC-UHFFFAOYSA-N
XLogP10.54
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.61
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine?
The IUPAC name of 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine (CID 59183706) is 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine.
What is the SMILES notation for 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine?
The canonical SMILES for 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1c2ccccc2c(N2c3ccccc3Oc3ccccc32)c2ncccc12.
What is the InChIKey of 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine?
The InChIKey is GJGXJAYRHLBYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O2/c1-2-13-25-24(12-1)36(39-27-15-3-7-19-31(27)41-32-20-8-4-16-28(32)39)26-14-11-23-38-35(26)37(25)40-29-17-5-9-21-33(29)42-34-22-10-6-18-30(34)40/h1-23H.
What are the key properties of 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine?
10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine has a molecular weight of 541.61 g/mol, XLogP of 10.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5-phenoxazin-10-ylbenzo[g]quinolin-10-yl)phenoxazine is sourced from PubChem (CID 59183706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).