2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine

C57H43NO — CID 59195509

IUPAC2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine
SMILESCN1c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C57H43NO/c1-56(2)46-18-10-8-14-38(46)40-26-22-35(31-48(40)56)34-23-28-44-45(30-34)55(36-24-27-41-39-15-9-11-19-47(39)57(3,4)49(41)32-36)43-17-7-6-16-42(43)54(44)37-25-29-53-51(33-37)58(5)50-20-12-13-21-52(50)59-53/h6-33H,1-5H3
InChIKeyGFQMSPOMHZBOMZ-UHFFFAOYSA-N
MW757.98 g/mol
LogP15.48
Rot. Bonds3

About 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine

2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine (PubChem CID 59195509) has the molecular formula C57H43NO and a molecular weight of 757.98 g/mol. Its IUPAC name is 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine.

Molecular Properties

Compound Name2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine
PubChem CID59195509
Molecular FormulaC57H43NO
Molecular Weight757.98 g/mol
Exact Mass757.33
IUPAC Name2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine
SMILESCN1c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21
InChIInChI=1S/C57H43NO/c1-56(2)46-18-10-8-14-38(46)40-26-22-35(31-48(40)56)34-23-28-44-45(30-34)55(36-24-27-41-39-15-9-11-19-47(39)57(3,4)49(41)32-36)43-17-7-6-16-42(43)54(44)37-25-29-53-51(33-37)58(5)50-20-12-13-21-52(50)59-53/h6-33H,1-5H3
InChIKeyGFQMSPOMHZBOMZ-UHFFFAOYSA-N
XLogP15.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.98
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]-10-methylphenoxazine
CID 59194851
2-[10-(9,9-dimethylfluoren-4-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine
CID 59195459
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methyl-9H-acridine
CID 59195977
2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-11-methylbenzo[b][1]benzazepine
CID 59195488
5-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-10-methylphenazine
CID 59195441
2-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine
CID 59195711
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-5,10-dimethylphenazine;2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenothiazine;2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]-10-methylphenoxazine
CID 157222318
10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220091
10-[9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220074
3-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9-methylcarbazole
CID 59195703
2-[3-(4a,8a-dihydronaphthalen-2-yl)-10-(9,9-dimethylfluoren-4-yl)anthracen-9-yl]-10-methylphenoxazine
CID 89139180
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]dibenzofuran
CID 59194951

Frequently Asked Questions

What is the IUPAC name of 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine?
The IUPAC name of 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine (CID 59195509) is 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine.
What is the SMILES notation for 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine?
The canonical SMILES for 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine is CN1c2ccccc2Oc2ccc(-c3c4ccccc4c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)ccc34)cc21.
What is the InChIKey of 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine?
The InChIKey is GFQMSPOMHZBOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H43NO/c1-56(2)46-18-10-8-14-38(46)40-26-22-35(31-48(40)56)34-23-28-44-45(30-34)55(36-24-27-41-39-15-9-11-19-47(39)57(3,4)49(41)32-36)43-17-7-6-16-42(43)54(44)37-25-29-53-51(33-37)58(5)50-20-12-13-21-52(50)59-53/h6-33H,1-5H3.
What are the key properties of 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine?
2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine has a molecular weight of 757.98 g/mol, XLogP of 15.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,10-bis(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-10-methylphenoxazine is sourced from PubChem (CID 59195509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).