3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione

C46H26N2O4 — CID 118655429

IUPAC3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione
SMILESO=C1Oc2cc3c(cc2=C1c1ccc(-n2c4ccccc4c4ccccc42)cc1)OC(=O)C=3c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C46H26N2O4/c49-45-43(27-17-21-29(22-18-27)47-37-13-5-1-9-31(37)32-10-2-6-14-38(32)47)35-25-42-36(26-41(35)51-45)44(46(50)52-42)28-19-23-30(24-20-28)48-39-15-7-3-11-33(39)34-12-4-8-16-40(34)48/h1-26H
InChIKeyWNHTYCGXHZJEPJ-UHFFFAOYSA-N
MW670.72 g/mol
LogP8.12
Rot. Bonds4

About 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione

3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione (PubChem CID 118655429) has the molecular formula C46H26N2O4 and a molecular weight of 670.72 g/mol. Its IUPAC name is 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione.

Molecular Properties

Compound Name3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione
PubChem CID118655429
Molecular FormulaC46H26N2O4
Molecular Weight670.72 g/mol
Exact Mass670.19
IUPAC Name3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione
SMILESO=C1Oc2cc3c(cc2=C1c1ccc(-n2c4ccccc4c4ccccc42)cc1)OC(=O)C=3c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C46H26N2O4/c49-45-43(27-17-21-29(22-18-27)47-37-13-5-1-9-31(37)32-10-2-6-14-38(32)47)35-25-42-36(26-41(35)51-45)44(46(50)52-42)28-19-23-30(24-20-28)48-39-15-7-3-11-33(39)34-12-4-8-16-40(34)48/h1-26H
InChIKeyWNHTYCGXHZJEPJ-UHFFFAOYSA-N
XLogP8.12
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.72
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione?
The IUPAC name of 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione (CID 118655429) is 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione.
What is the SMILES notation for 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione?
The canonical SMILES for 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione is O=C1Oc2cc3c(cc2=C1c1ccc(-n2c4ccccc4c4ccccc42)cc1)OC(=O)C=3c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione?
The InChIKey is WNHTYCGXHZJEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N2O4/c49-45-43(27-17-21-29(22-18-27)47-37-13-5-1-9-31(37)32-10-2-6-14-38(32)47)35-25-42-36(26-41(35)51-45)44(46(50)52-42)28-19-23-30(24-20-28)48-39-15-7-3-11-33(39)34-12-4-8-16-40(34)48/h1-26H.
What are the key properties of 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione?
3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione has a molecular weight of 670.72 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-bis(4-carbazol-9-ylphenyl)furo[2,3-f][1]benzofuran-2,6-dione is sourced from PubChem (CID 118655429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).