2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran

C46H26O3 — CID 176744093

IUPAC2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)oc3c2ccc2oc4ccccc4c23)cc1
InChIInChI=1S/C46H26O3/c1-2-12-27(13-3-1)42-35-23-25-40-44(34-19-9-11-21-38(34)48-40)45(35)49-46(42)43-32-17-6-4-15-30(32)41(31-16-5-7-18-33(31)43)28-22-24-39-36(26-28)29-14-8-10-20-37(29)47-39/h1-26H
InChIKeyANDJIKSGCMUKIO-UHFFFAOYSA-N
MW626.71 g/mol
LogP13.54
Rot. Bonds3

About 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran

2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran (PubChem CID 176744093) has the molecular formula C46H26O3 and a molecular weight of 626.71 g/mol. Its IUPAC name is 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran.

Molecular Properties

Compound Name2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
PubChem CID176744093
Molecular FormulaC46H26O3
Molecular Weight626.71 g/mol
Exact Mass626.19
IUPAC Name2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran
SMILESc1ccc(-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)oc3c2ccc2oc4ccccc4c23)cc1
InChIInChI=1S/C46H26O3/c1-2-12-27(13-3-1)42-35-23-25-40-44(34-19-9-11-21-38(34)48-40)45(35)49-46(42)43-32-17-6-4-15-30(32)41(31-16-5-7-18-33(31)43)28-22-24-39-36(26-28)29-14-8-10-20-37(29)47-39/h1-26H
InChIKeyANDJIKSGCMUKIO-UHFFFAOYSA-N
XLogP13.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.71
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran 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

3-phenyl-2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 174267471
3-phenyl-2-[10-(3-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176745718
16-(10-phenylanthracen-9-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426236
16-[10-(4-phenylphenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaene
CID 122426254
9-phenyl-3-[10-(3-phenyl-[1]benzofuro[2,3-g][1]benzofuran-2-yl)anthracen-9-yl]carbazole
CID 176745422
2-(10-dibenzofuran-3-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[7,6-b][1]benzofuran
CID 176746338
2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176743927
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
2-[10-(1-phenyl-[1]benzofuro[3,2-e][1]benzofuran-2-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264292
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
6-(10-phenylanthracen-9-yl)-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15,17,19,23-undecaene
CID 130212286

Frequently Asked Questions

What is the IUPAC name of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran?
The IUPAC name of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran (CID 176744093) is 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran.
What is the SMILES notation for 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran?
The canonical SMILES for 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran is c1ccc(-c2c(-c3c4ccccc4c(-c4ccc5oc6ccccc6c5c4)c4ccccc34)oc3c2ccc2oc4ccccc4c23)cc1.
What is the InChIKey of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran?
The InChIKey is ANDJIKSGCMUKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26O3/c1-2-12-27(13-3-1)42-35-23-25-40-44(34-19-9-11-21-38(34)48-40)45(35)49-46(42)43-32-17-6-4-15-30(32)41(31-16-5-7-18-33(31)43)28-22-24-39-36(26-28)29-14-8-10-20-37(29)47-39/h1-26H.
What are the key properties of 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran?
2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran has a molecular weight of 626.71 g/mol, XLogP of 13.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-dibenzofuran-2-ylanthracen-9-yl)-3-phenyl-[1]benzofuro[2,3-g][1]benzofuran is sourced from PubChem (CID 176744093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).