2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran

C68H44O — CID 58262014

IUPAC2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)c5)cc34)c2)cc1
InChIInChI=1S/C68H44O/c1-5-19-45(20-6-1)49-27-16-31-54(40-49)57-35-18-36-61-64-44-56(43-62(68(64)69-67(57)61)55-32-17-28-50(41-55)46-21-7-2-8-22-46)52-30-15-29-51(39-52)53-37-38-60-63(42-53)66(48-25-11-4-12-26-48)59-34-14-13-33-58(59)65(60)47-23-9-3-10-24-47/h1-44H
InChIKeyUTVYBAGICKOZNS-UHFFFAOYSA-N
MW877.10 g/mol
LogP19.23
Rot. Bonds8

About 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran

2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran (PubChem CID 58262014) has the molecular formula C68H44O and a molecular weight of 877.10 g/mol. Its IUPAC name is 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran
PubChem CID58262014
Molecular FormulaC68H44O
Molecular Weight877.10 g/mol
Exact Mass876.34
IUPAC Name2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)c5)cc34)c2)cc1
InChIInChI=1S/C68H44O/c1-5-19-45(20-6-1)49-27-16-31-54(40-49)57-35-18-36-61-64-44-56(43-62(68(64)69-67(57)61)55-32-17-28-50(41-55)46-21-7-2-8-22-46)52-30-15-29-51(39-52)53-37-38-60-63(42-53)66(48-25-11-4-12-26-48)59-34-14-13-33-58(59)65(60)47-23-9-3-10-24-47/h1-44H
InChIKeyUTVYBAGICKOZNS-UHFFFAOYSA-N
XLogP19.23
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 519.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-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-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-(4-phenylphenyl)-6-triphenylen-2-yldibenzofuran
CID 118651099
2-[3-(6,8-diphenyldibenzofuran-4-yl)phenyl]-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164838374
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
4-[3-(6-methyl-9,10-diphenylanthracen-2-yl)phenyl]dibenzofuran
CID 58262030
2,4-diphenyl-6-[4-[8-phenyl-6-(4-phenylphenyl)dibenzofuran-4-yl]phenyl]-1,3,5-triazine
CID 164838394
2-dibenzofuran-4-yl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;9-[4-(9,10-diphenylanthracen-2-yl)phenyl]-3,6-bis(2,6,8-triphenyldibenzofuran-4-yl)carbazole;2-(2,8-diphenyldibenzofuran-4-yl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159084484
2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene
CID 58875734
19-(3-triphenylen-2-ylphenyl)-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 118439443
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran?
The IUPAC name of 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran (CID 58262014) is 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran.
What is the SMILES notation for 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran?
The canonical SMILES for 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran is c1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cccc(-c6ccccc6)c5)cc(-c5cccc(-c6ccc7c(-c8ccccc8)c8ccccc8c(-c8ccccc8)c7c6)c5)cc34)c2)cc1.
What is the InChIKey of 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran?
The InChIKey is UTVYBAGICKOZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44O/c1-5-19-45(20-6-1)49-27-16-31-54(40-49)57-35-18-36-61-64-44-56(43-62(68(64)69-67(57)61)55-32-17-28-50(41-55)46-21-7-2-8-22-46)52-30-15-29-51(39-52)53-37-38-60-63(42-53)66(48-25-11-4-12-26-48)59-34-14-13-33-58(59)65(60)47-23-9-3-10-24-47/h1-44H.
What are the key properties of 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran?
2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran has a molecular weight of 877.10 g/mol, XLogP of 19.23, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(9,10-diphenylanthracen-2-yl)phenyl]-4,6-bis(3-phenylphenyl)dibenzofuran is sourced from PubChem (CID 58262014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).