4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran

C50H32O — CID 58261860

IUPAC4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H32O/c1-4-15-33(16-5-1)37-29-38(31-39(30-37)40-24-14-25-45-41-21-12-13-26-47(41)51-50(40)45)36-27-28-44-46(32-36)49(35-19-8-3-9-20-35)43-23-11-10-22-42(43)48(44)34-17-6-2-7-18-34/h1-32H
InChIKeyKXPQDSATTXFNIV-UHFFFAOYSA-N
MW648.81 g/mol
LogP14.23
Rot. Bonds5

About 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran

4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran (PubChem CID 58261860) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran.

Molecular Properties

Compound Name4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
PubChem CID58261860
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
SMILESc1ccc(-c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc(-c3cccc4c3oc3ccccc34)c2)cc1
InChIInChI=1S/C50H32O/c1-4-15-33(16-5-1)37-29-38(31-39(30-37)40-24-14-25-45-41-21-12-13-26-47(41)51-50(40)45)36-27-28-44-46(32-36)49(35-19-8-3-9-20-35)43-23-11-10-22-42(43)48(44)34-17-6-2-7-18-34/h1-32H
InChIKeyKXPQDSATTXFNIV-UHFFFAOYSA-N
XLogP14.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]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

4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 58323634
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
ethane;4-[4-(10-naphthalen-1-yl-2-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 143986146
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran
CID 58262014
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(9,10-diphenylphenanthren-2-yl)aniline
CID 169064163
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-[3-(4-methylphenyl)-5-phenylphenyl]dibenzofuran
CID 70812680

Frequently Asked Questions

What is the IUPAC name of 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran?
The IUPAC name of 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran (CID 58261860) is 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran.
What is the SMILES notation for 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran?
The canonical SMILES for 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran is c1ccc(-c2cc(-c3ccc4c(-c5ccccc5)c5ccccc5c(-c5ccccc5)c4c3)cc(-c3cccc4c3oc3ccccc34)c2)cc1.
What is the InChIKey of 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran?
The InChIKey is KXPQDSATTXFNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-4-15-33(16-5-1)37-29-38(31-39(30-37)40-24-14-25-45-41-21-12-13-26-47(41)51-50(40)45)36-27-28-44-46(32-36)49(35-19-8-3-9-20-35)43-23-11-10-22-42(43)48(44)34-17-6-2-7-18-34/h1-32H.
What are the key properties of 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran?
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran has a molecular weight of 648.81 g/mol, XLogP of 14.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran is sourced from PubChem (CID 58261860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).