8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran

C64H40O — CID 177089190

IUPAC8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5oc6cccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)c6c5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C64H40O/c1-4-19-41(20-5-1)45-37-46(42-21-6-2-7-22-42)39-47(38-45)62-50-27-12-10-25-48(50)61(49-26-11-13-28-51(49)62)44-35-36-58-57(40-44)64-56(33-18-34-59(64)65-58)63-54-31-16-14-29-52(54)60(43-23-8-3-9-24-43)53-30-15-17-32-55(53)63/h1-40H
InChIKeyZZLRWVKBULCOHD-UHFFFAOYSA-N
MW825.02 g/mol
LogP18.20
Rot. Bonds6

About 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran

8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran (PubChem CID 177089190) has the molecular formula C64H40O and a molecular weight of 825.02 g/mol. Its IUPAC name is 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
PubChem CID177089190
Molecular FormulaC64H40O
Molecular Weight825.02 g/mol
Exact Mass824.31
IUPAC Name8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5oc6cccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)c6c5c4)c4ccccc34)c2)cc1
InChIInChI=1S/C64H40O/c1-4-19-41(20-5-1)45-37-46(42-21-6-2-7-22-42)39-47(38-45)62-50-27-12-10-25-48(50)61(49-26-11-13-28-51(49)62)44-35-36-58-57(40-44)64-56(33-18-34-59(64)65-58)63-54-31-16-14-29-52(54)60(43-23-8-3-9-24-43)53-30-15-17-32-55(53)63/h1-40H
InChIKeyZZLRWVKBULCOHD-UHFFFAOYSA-N
XLogP18.20
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.02
LogP ≤ 518.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
1-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-8-(10-phenylanthracen-9-yl)dibenzofuran
CID 161049408
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
2-(10-phenylanthracen-9-yl)-7-(4-phenylphenyl)dibenzofuran;2-(10-phenylanthracen-9-yl)-8-(3-phenylphenyl)dibenzofuran;8-(10-phenylanthracen-9-yl)-1-(2-phenylphenyl)dibenzofuran
CID 157351443
1-(3,5-diphenylphenyl)-9-(10-phenylanthracen-9-yl)dibenzofuran;7-(2,5-diphenylphenyl)-1-(10-phenylanthracen-9-yl)dibenzofuran;1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran;1-(10-phenylanthracen-9-yl)-8-[4-(4-phenylphenyl)phenyl]dibenzofuran
CID 158423498
9-phenyl-3-[10-[8-(10-phenylanthracen-9-yl)dibenzofuran-1-yl]anthracen-9-yl]carbazole
CID 158086462
1-[10-(3-cyclohexa-1,3-dien-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174290733

Frequently Asked Questions

What is the IUPAC name of 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran (CID 177089190) is 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran is c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4ccc5oc6cccc(-c7c8ccccc8c(-c8ccccc8)c8ccccc78)c6c5c4)c4ccccc34)c2)cc1.
What is the InChIKey of 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran?
The InChIKey is ZZLRWVKBULCOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40O/c1-4-19-41(20-5-1)45-37-46(42-21-6-2-7-22-42)39-47(38-45)62-50-27-12-10-25-48(50)61(49-26-11-13-28-51(49)62)44-35-36-58-57(40-44)64-56(33-18-34-59(64)65-58)63-54-31-16-14-29-52(54)60(43-23-8-3-9-24-43)53-30-15-17-32-55(53)63/h1-40H.
What are the key properties of 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran?
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran has a molecular weight of 825.02 g/mol, XLogP of 18.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 177089190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).