2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one

C31H18O3 — CID 121242458

IUPAC2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one
SMILESO=c1oc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2c2ccccc12
InChIInChI=1S/C31H18O3/c32-31-26-8-2-1-6-23(26)27-18-21(16-17-29(27)34-31)19-12-14-20(15-13-19)22-9-5-10-25-24-7-3-4-11-28(24)33-30(22)25/h1-18H
InChIKeyHJCFWBQVTIENIB-UHFFFAOYSA-N
MW438.48 g/mol
LogP8.18
Rot. Bonds2

About 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one

2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one (PubChem CID 121242458) has the molecular formula C31H18O3 and a molecular weight of 438.48 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one
PubChem CID121242458
Molecular FormulaC31H18O3
Molecular Weight438.48 g/mol
Exact Mass438.13
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one
SMILESO=c1oc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2c2ccccc12
InChIInChI=1S/C31H18O3/c32-31-26-8-2-1-6-23(26)27-18-21(16-17-29(27)34-31)19-12-14-20(15-13-19)22-9-5-10-25-24-7-3-4-11-28(24)33-30(22)25/h1-18H
InChIKeyHJCFWBQVTIENIB-UHFFFAOYSA-N
XLogP8.18
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.48
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one 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

2-[4-[(4-dibenzofuran-4-ylphenyl)methyl]phenyl]dibenzofuran
CID 159612507
2-[4-[1-(4-dibenzofuran-4-ylphenyl)ethyl]phenyl]dibenzofuran
CID 174178018
4-N-(4-dibenzofuran-2-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 58510699
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
1-(4-triphenylen-2-ylphenyl)dibenzofuran;2-(4-triphenylen-2-ylphenyl)dibenzofuran;3-(3-triphenylen-2-ylphenyl)dibenzofuran;3-(4-triphenylen-2-ylphenyl)dibenzofuran;4-(4-triphenylen-2-ylphenyl)dibenzofuran
CID 160897706
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)triphenylen-2-amine
CID 118214662
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(3-phenylphenyl)aniline;N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;4-dibenzofuran-2-yl-N,N-bis(4-dibenzofuran-4-ylphenyl)aniline
CID 157477199
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)benzonitrile
CID 70847285
2-phenyl-4-[4-(8-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850254
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;4-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 159891150
10-(4-dibenzofuran-4-ylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
CID 122629685

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one (CID 121242458) is 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one is O=c1oc2ccc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc2c2ccccc12.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one?
The InChIKey is HJCFWBQVTIENIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H18O3/c32-31-26-8-2-1-6-23(26)27-18-21(16-17-29(27)34-31)19-12-14-20(15-13-19)22-9-5-10-25-24-7-3-4-11-28(24)33-30(22)25/h1-18H.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one?
2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one has a molecular weight of 438.48 g/mol, XLogP of 8.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)benzo[c]chromen-6-one is sourced from PubChem (CID 121242458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).