10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine

C56H34N4O2 — CID 59219935

IUPAC10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C56H34N4O2/c1-3-15-43-35(13-1)25-31-45(57-43)55-39-29-27-38(60-49-19-7-11-23-53(49)62-54-24-12-8-20-50(54)60)34-42(39)56(46-32-26-36-14-2-4-16-44(36)58-46)40-30-28-37(33-41(40)55)59-47-17-5-9-21-51(47)61-52-22-10-6-18-48(52)59/h1-34H
InChIKeyWUFLDEQMWWRCBX-UHFFFAOYSA-N
MW794.91 g/mol
LogP15.57
Rot. Bonds4

About 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine

10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine (PubChem CID 59219935) has the molecular formula C56H34N4O2 and a molecular weight of 794.91 g/mol. Its IUPAC name is 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine
PubChem CID59219935
Molecular FormulaC56H34N4O2
Molecular Weight794.91 g/mol
Exact Mass794.27
IUPAC Name10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4n3)c2c1
InChIInChI=1S/C56H34N4O2/c1-3-15-43-35(13-1)25-31-45(57-43)55-39-29-27-38(60-49-19-7-11-23-53(49)62-54-24-12-8-20-50(54)60)34-42(39)56(46-32-26-36-14-2-4-16-44(36)58-46)40-30-28-37(33-41(40)55)59-47-17-5-9-21-51(47)61-52-22-10-6-18-48(52)59/h1-34H
InChIKeyWUFLDEQMWWRCBX-UHFFFAOYSA-N
XLogP15.57
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.91
LogP ≤ 515.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine?
The IUPAC name of 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine (CID 59219935) is 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c(-c3ccc4ccccc4n3)c3cc(N4c5ccccc5Oc5ccccc54)ccc3c(-c3ccc4ccccc4n3)c2c1.
What is the InChIKey of 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine?
The InChIKey is WUFLDEQMWWRCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O2/c1-3-15-43-35(13-1)25-31-45(57-43)55-39-29-27-38(60-49-19-7-11-23-53(49)62-54-24-12-8-20-50(54)60)34-42(39)56(46-32-26-36-14-2-4-16-44(36)58-46)40-30-28-37(33-41(40)55)59-47-17-5-9-21-51(47)61-52-22-10-6-18-48(52)59/h1-34H.
What are the key properties of 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine?
10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine has a molecular weight of 794.91 g/mol, XLogP of 15.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[6-phenoxazin-10-yl-9,10-di(quinolin-2-yl)anthracen-2-yl]phenoxazine is sourced from PubChem (CID 59219935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).