2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran

C54H32O2 — CID 134164786

IUPAC2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c(-c5c(-c6ccc7c(c6)oc6ccccc67)ccc6oc7ccccc7c56)cccc34)c3ccccc23)cc1
InChIInChI=1S/C54H32O2/c1-2-14-33(15-3-1)51-42-17-4-6-19-44(42)52(45-20-7-5-18-43(45)51)40-24-12-23-37-36(40)22-13-25-41(37)53-35(30-31-49-54(53)46-21-9-11-27-48(46)55-49)34-28-29-39-38-16-8-10-26-47(38)56-50(39)32-34/h1-32H
InChIKeySTCBOTNITBTSOR-UHFFFAOYSA-N
MW712.85 g/mol
LogP15.61
Rot. Bonds4

About 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran

2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (PubChem CID 134164786) has the molecular formula C54H32O2 and a molecular weight of 712.85 g/mol. Its IUPAC name is 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.

Molecular Properties

Compound Name2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
PubChem CID134164786
Molecular FormulaC54H32O2
Molecular Weight712.85 g/mol
Exact Mass712.24
IUPAC Name2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cccc4c(-c5c(-c6ccc7c(c6)oc6ccccc67)ccc6oc7ccccc7c56)cccc34)c3ccccc23)cc1
InChIInChI=1S/C54H32O2/c1-2-14-33(15-3-1)51-42-17-4-6-19-44(42)52(45-20-7-5-18-43(45)51)40-24-12-23-37-36(40)22-13-25-41(37)53-35(30-31-49-54(53)46-21-9-11-27-48(46)55-49)34-28-29-39-38-16-8-10-26-47(38)56-50(39)32-34/h1-32H
InChIKeySTCBOTNITBTSOR-UHFFFAOYSA-N
XLogP15.61
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.85
LogP ≤ 515.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran 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-dibenzofuran-3-yl-1-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[3-(10-phenylanthracen-9-yl)phenyl]-2-(2-phenylphenyl)dibenzofuran;2-phenyl-1-[3-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 158553667
3-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 118671052
6-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 122415742
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
6-[10-(2,6-diphenylphenyl)anthracen-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 171447365
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 171447273
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
6-[4-(10-phenylanthracen-9-yl)naphthalen-1-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 122415794
3-[10-(17-pentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(21),2,4,6,8,10,12,14(22),15,17,19-undecaenyl)anthracen-9-yl]dibenzofuran
CID 155475477
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
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The IUPAC name of 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran (CID 134164786) is 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran.
What is the SMILES notation for 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The canonical SMILES for 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cccc4c(-c5c(-c6ccc7c(c6)oc6ccccc67)ccc6oc7ccccc7c56)cccc34)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
The InChIKey is STCBOTNITBTSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32O2/c1-2-14-33(15-3-1)51-42-17-4-6-19-44(42)52(45-20-7-5-18-43(45)51)40-24-12-23-37-36(40)22-13-25-41(37)53-35(30-31-49-54(53)46-21-9-11-27-48(46)55-49)34-28-29-39-38-16-8-10-26-47(38)56-50(39)32-34/h1-32H.
What are the key properties of 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran?
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran has a molecular weight of 712.85 g/mol, XLogP of 15.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran is sourced from PubChem (CID 134164786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).