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

C34H19NO4 — CID 118655420

IUPAC3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
SMILESO=C1Oc2cc3c(cc2=C1c1ccccc1)OC(=O)C=3c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C34H19NO4/c36-33-31(20-8-2-1-3-9-20)25-18-30-26(19-29(25)38-33)32(34(37)39-30)21-14-16-22(17-15-21)35-27-12-6-4-10-23(27)24-11-5-7-13-28(24)35/h1-19H
InChIKeyXQUYWUWAXFBIOW-UHFFFAOYSA-N
MW505.53 g/mol
LogP5.02
Rot. Bonds3

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

3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione (PubChem CID 118655420) has the molecular formula C34H19NO4 and a molecular weight of 505.53 g/mol. Its IUPAC name is 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione.

Molecular Properties

Compound Name3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
PubChem CID118655420
Molecular FormulaC34H19NO4
Molecular Weight505.53 g/mol
Exact Mass505.13
IUPAC Name3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione
SMILESO=C1Oc2cc3c(cc2=C1c1ccccc1)OC(=O)C=3c1ccc(-n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C34H19NO4/c36-33-31(20-8-2-1-3-9-20)25-18-30-26(19-29(25)38-33)32(34(37)39-30)21-14-16-22(17-15-21)35-27-12-6-4-10-23(27)24-11-5-7-13-28(24)35/h1-19H
InChIKeyXQUYWUWAXFBIOW-UHFFFAOYSA-N
XLogP5.02
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.53
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267
1,4-bis(9-phenylcarbazol-3-yl)furo[3,4-c]furan-3,6-dione
CID 118655509
9-[4-[4-[4-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041201
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
CID 135323607
9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]phenyl]phenyl]carbazole;9-[4-[3-[3-(4-carbazol-9-ylphenyl)-5-phenylphenyl]-5-phenylphenyl]phenyl]carbazole
CID 159046230
3-carbazol-9-yl-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 149208011
2-carbazol-9-yl-9-[9-[4-(4-phenylphenyl)phenyl]carbazol-2-yl]carbazole
CID 170659707
5-phenyl-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 142356573
9-[4-[3-(3,5-diphenylphenyl)phenyl]phenyl]carbazole
CID 118595106
9-[4-[8-(4-carbazol-9-ylphenyl)dibenzofuran-2-yl]phenyl]carbazole
CID 118148524
9-[4-[2-[4-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041264
2-(9-phenylcarbazol-2-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 142356248

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The IUPAC name of 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione (CID 118655420) is 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione.
What is the SMILES notation for 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The canonical SMILES for 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione is O=C1Oc2cc3c(cc2=C1c1ccccc1)OC(=O)C=3c1ccc(-n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
The InChIKey is XQUYWUWAXFBIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H19NO4/c36-33-31(20-8-2-1-3-9-20)25-18-30-26(19-29(25)38-33)32(34(37)39-30)21-14-16-22(17-15-21)35-27-12-6-4-10-23(27)24-11-5-7-13-28(24)35/h1-19H.
What are the key properties of 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione?
3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione has a molecular weight of 505.53 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-ylphenyl)-7-phenylfuro[2,3-f][1]benzofuran-2,6-dione is sourced from PubChem (CID 118655420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).