1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione

C52H34N2O4 — CID 102129273

IUPAC1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione
SMILESO=C1c2cccc(OCc3ccc(-n4c5ccccc5c5ccccc54)cc3)c2C(=O)c2cccc(OCc3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C52H34N2O4/c55-51-42-16-10-22-48(58-32-34-25-29-36(30-26-34)54-45-19-7-3-13-39(45)40-14-4-8-20-46(40)54)50(42)52(56)41-15-9-21-47(49(41)51)57-31-33-23-27-35(28-24-33)53-43-17-5-1-11-37(43)38-12-2-6-18-44(38)53/h1-30H,31-32H2
InChIKeyZOIHMEPZIZJXGE-UHFFFAOYSA-N
MW750.85 g/mol
LogP11.81
Rot. Bonds8

About 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione

1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione (PubChem CID 102129273) has the molecular formula C52H34N2O4 and a molecular weight of 750.85 g/mol. Its IUPAC name is 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione.

Molecular Properties

Compound Name1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione
PubChem CID102129273
Molecular FormulaC52H34N2O4
Molecular Weight750.85 g/mol
Exact Mass750.25
IUPAC Name1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione
SMILESO=C1c2cccc(OCc3ccc(-n4c5ccccc5c5ccccc54)cc3)c2C(=O)c2cccc(OCc3ccc(-n4c5ccccc5c5ccccc54)cc3)c21
InChIInChI=1S/C52H34N2O4/c55-51-42-16-10-22-48(58-32-34-25-29-36(30-26-34)54-45-19-7-3-13-39(45)40-14-4-8-20-46(40)54)50(42)52(56)41-15-9-21-47(49(41)51)57-31-33-23-27-35(28-24-33)53-43-17-5-1-11-37(43)38-12-2-6-18-44(38)53/h1-30H,31-32H2
InChIKeyZOIHMEPZIZJXGE-UHFFFAOYSA-N
XLogP11.81
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.85
LogP ≤ 511.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione?
The IUPAC name of 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione (CID 102129273) is 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione.
What is the SMILES notation for 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione?
The canonical SMILES for 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione is O=C1c2cccc(OCc3ccc(-n4c5ccccc5c5ccccc54)cc3)c2C(=O)c2cccc(OCc3ccc(-n4c5ccccc5c5ccccc54)cc3)c21.
What is the InChIKey of 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione?
The InChIKey is ZOIHMEPZIZJXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O4/c55-51-42-16-10-22-48(58-32-34-25-29-36(30-26-34)54-45-19-7-3-13-39(45)40-14-4-8-20-46(40)54)50(42)52(56)41-15-9-21-47(49(41)51)57-31-33-23-27-35(28-24-33)53-43-17-5-1-11-37(43)38-12-2-6-18-44(38)53/h1-30H,31-32H2.
What are the key properties of 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione?
1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione has a molecular weight of 750.85 g/mol, XLogP of 11.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[(4-carbazol-9-ylphenyl)methoxy]anthracene-9,10-dione is sourced from PubChem (CID 102129273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).