10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

C54H40N2O2 — CID 59219982

IUPAC10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
SMILESCc1ccc(-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3ccc(C)cc3C)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)c(C)c1
InChIInChI=1S/C54H40N2O2/c1-33-21-25-39(35(3)29-33)53-41-27-23-38(56-47-15-7-11-19-51(47)58-52-20-12-8-16-48(52)56)32-44(41)54(40-26-22-34(2)30-36(40)4)42-28-24-37(31-43(42)53)55-45-13-5-9-17-49(45)57-50-18-10-6-14-46(50)55/h5-32H,1-4H3
InChIKeyWKQAFWQQVJUVJQ-UHFFFAOYSA-N
MW748.93 g/mol
LogP15.71
Rot. Bonds4

About 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine

10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (PubChem CID 59219982) has the molecular formula C54H40N2O2 and a molecular weight of 748.93 g/mol. Its IUPAC name is 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
PubChem CID59219982
Molecular FormulaC54H40N2O2
Molecular Weight748.93 g/mol
Exact Mass748.31
IUPAC Name10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
SMILESCc1ccc(-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3ccc(C)cc3C)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)c(C)c1
InChIInChI=1S/C54H40N2O2/c1-33-21-25-39(35(3)29-33)53-41-27-23-38(56-47-15-7-11-19-51(47)58-52-20-12-8-16-48(52)56)32-44(41)54(40-26-22-34(2)30-36(40)4)42-28-24-37(31-43(42)53)55-45-13-5-9-17-49(45)57-50-18-10-6-14-46(50)55/h5-32H,1-4H3
InChIKeyWKQAFWQQVJUVJQ-UHFFFAOYSA-N
XLogP15.71
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.93
LogP ≤ 515.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-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

Related Compounds

10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59221101
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220091
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
16,44-dimethyl-21,49-dioxa-28,56-diazaheptadecacyclo[31.23.2.26,9.217,20.229,32.234,37.245,48.04,58.05,31.08,16.010,15.019,28.022,27.036,44.038,43.047,56.050,55]octahexaconta-1(57),2,4(58),5(31),6,8,10,12,14,17,19,22,24,26,29,32,34,36,38,40,42,45,47,50,52,54,59,61,63,65,67-hentriacontaene
CID 89090591

Frequently Asked Questions

What is the IUPAC name of 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The IUPAC name of 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine (CID 59219982) is 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine.
What is the SMILES notation for 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The canonical SMILES for 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is Cc1ccc(-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3ccc(C)cc3C)c3ccc(N4c5ccccc5Oc5ccccc54)cc23)c(C)c1.
What is the InChIKey of 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
The InChIKey is WKQAFWQQVJUVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H40N2O2/c1-33-21-25-39(35(3)29-33)53-41-27-23-38(56-47-15-7-11-19-51(47)58-52-20-12-8-16-48(52)56)32-44(41)54(40-26-22-34(2)30-36(40)4)42-28-24-37(31-43(42)53)55-45-13-5-9-17-49(45)57-50-18-10-6-14-46(50)55/h5-32H,1-4H3.
What are the key properties of 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine?
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine has a molecular weight of 748.93 g/mol, XLogP of 15.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine is sourced from PubChem (CID 59219982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).