6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran

C50H32O — CID 170205377

IUPAC6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)c4ccccc34)cc2)cc1
InChIInChI=1S/C50H32O/c1-4-15-33(16-5-1)35-27-29-37(30-28-35)47-39-21-10-12-23-41(39)48(42-24-13-11-22-40(42)47)43-25-14-26-46-49(43)45-32-38(34-17-6-2-7-18-34)31-44(50(45)51-46)36-19-8-3-9-20-36/h1-32H
InChIKeyWNZOBDLWFVGNRF-UHFFFAOYSA-N
MW648.81 g/mol
LogP14.23
Rot. Bonds5

About 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran

6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 170205377) has the molecular formula C50H32O and a molecular weight of 648.81 g/mol. Its IUPAC name is 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID170205377
Molecular FormulaC50H32O
Molecular Weight648.81 g/mol
Exact Mass648.25
IUPAC Name6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)c4ccccc34)cc2)cc1
InChIInChI=1S/C50H32O/c1-4-15-33(16-5-1)35-27-29-37(30-28-35)47-39-21-10-12-23-41(39)48(42-24-13-11-22-40(42)47)43-25-14-26-46-49(43)45-32-38(34-17-6-2-7-18-34)31-44(50(45)51-46)36-19-8-3-9-20-36/h1-32H
InChIKeyWNZOBDLWFVGNRF-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'}

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Related Compounds

1-[10-(3,5-diphenylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176777662
1-(10-phenylanthracen-9-yl)-6-(2-phenylphenyl)dibenzofuran
CID 134169518
1-(10-phenylanthracen-9-yl)-8-[2-(4-phenylphenyl)phenyl]dibenzofuran
CID 134471897
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
2-(6,8-diphenyldibenzofuran-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 147117573
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
6-phenyl-2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 170187740
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
4-[3-(9,10-diphenylanthracen-2-yl)-5-phenylphenyl]dibenzofuran
CID 58261860
3-phenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170249878

Frequently Asked Questions

What is the IUPAC name of 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 170205377) is 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5oc6c(-c7ccccc7)cc(-c7ccccc7)cc6c45)c4ccccc34)cc2)cc1.
What is the InChIKey of 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is WNZOBDLWFVGNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32O/c1-4-15-33(16-5-1)35-27-29-37(30-28-35)47-39-21-10-12-23-41(39)48(42-24-13-11-22-40(42)47)43-25-14-26-46-49(43)45-32-38(34-17-6-2-7-18-34)31-44(50(45)51-46)36-19-8-3-9-20-36/h1-32H.
What are the key properties of 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran?
6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]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 6,8-diphenyl-1-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 170205377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).