1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran

C46H26Cl2O — CID 163589465

IUPAC1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran
SMILESClc1cccc2c(-c3c4ccccc4c(-c4c(-c5ccccc5)ccc5oc6ccccc6c45)c4ccccc34)c3cccc(Cl)c3cc12
InChIInChI=1S/C46H26Cl2O/c47-38-21-10-19-33-36(38)26-37-34(20-11-22-39(37)48)43(33)42-29-14-4-6-16-31(29)44(32-17-7-5-15-30(32)42)46-28(27-12-2-1-3-13-27)24-25-41-45(46)35-18-8-9-23-40(35)49-41/h1-26H
InChIKeyGOHDJNGEBXLDOF-UHFFFAOYSA-N
MW665.62 g/mol
LogP14.51
Rot. Bonds3

About 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran

1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran (PubChem CID 163589465) has the molecular formula C46H26Cl2O and a molecular weight of 665.62 g/mol. Its IUPAC name is 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran.

Molecular Properties

Compound Name1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran
PubChem CID163589465
Molecular FormulaC46H26Cl2O
Molecular Weight665.62 g/mol
Exact Mass664.14
IUPAC Name1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran
SMILESClc1cccc2c(-c3c4ccccc4c(-c4c(-c5ccccc5)ccc5oc6ccccc6c45)c4ccccc34)c3cccc(Cl)c3cc12
InChIInChI=1S/C46H26Cl2O/c47-38-21-10-19-33-36(38)26-37-34(20-11-22-39(37)48)43(33)42-29-14-4-6-16-31(29)44(32-17-7-5-15-30(32)42)46-28(27-12-2-1-3-13-27)24-25-41-45(46)35-18-8-9-23-40(35)49-41/h1-26H
InChIKeyGOHDJNGEBXLDOF-UHFFFAOYSA-N
XLogP14.51
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.62
LogP ≤ 514.51
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

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
2,7-diphenyl-1-[10-(2-phenyltriphenylen-1-yl)anthracen-9-yl]dibenzofuran
CID 171447388
2-(3,5-diphenylphenyl)-1-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 134164763
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
2-phenyl-1-(3-phenyl-2-benzofuran-1-yl)dibenzofuran
CID 156552811
2-chloro-1-(3,5-diphenylphenyl)dibenzofuran
CID 177281427
1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran
CID 174263469
3-(2-chloro-6-phenylphenyl)dibenzofuran
CID 170666298
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
2-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 155312586

Frequently Asked Questions

What is the IUPAC name of 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran?
The IUPAC name of 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran (CID 163589465) is 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran.
What is the SMILES notation for 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran?
The canonical SMILES for 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran is Clc1cccc2c(-c3c4ccccc4c(-c4c(-c5ccccc5)ccc5oc6ccccc6c45)c4ccccc34)c3cccc(Cl)c3cc12.
What is the InChIKey of 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran?
The InChIKey is GOHDJNGEBXLDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26Cl2O/c47-38-21-10-19-33-36(38)26-37-34(20-11-22-39(37)48)43(33)42-29-14-4-6-16-31(29)44(32-17-7-5-15-30(32)42)46-28(27-12-2-1-3-13-27)24-25-41-45(46)35-18-8-9-23-40(35)49-41/h1-26H.
What are the key properties of 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran?
1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran has a molecular weight of 665.62 g/mol, XLogP of 14.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-(4,5-dichloroanthracen-9-yl)anthracen-9-yl]-2-phenyldibenzofuran is sourced from PubChem (CID 163589465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).