1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran

C44H28O — CID 134471934

IUPAC1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c2)cc1
InChIInChI=1S/C44H28O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)33-25-26-38-41(28-33)45-40-24-12-23-39(44(38)40)43-36-21-9-7-19-34(36)42(30-15-5-2-6-16-30)35-20-8-10-22-37(35)43/h1-28H
InChIKeyBCFDTWKFMHSXNB-UHFFFAOYSA-N
MW572.71 g/mol
LogP12.56
Rot. Bonds4

About 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran

1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran (PubChem CID 134471934) has the molecular formula C44H28O and a molecular weight of 572.71 g/mol. Its IUPAC name is 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran.

Molecular Properties

Compound Name1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
PubChem CID134471934
Molecular FormulaC44H28O
Molecular Weight572.71 g/mol
Exact Mass572.21
IUPAC Name1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c2)cc1
InChIInChI=1S/C44H28O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)33-25-26-38-41(28-33)45-40-24-12-23-39(44(38)40)43-36-21-9-7-19-34(36)42(30-15-5-2-6-16-30)35-20-8-10-22-37(35)43/h1-28H
InChIKeyBCFDTWKFMHSXNB-UHFFFAOYSA-N
XLogP12.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.71
LogP ≤ 512.56
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-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
CID 168795804
7-phenyl-1-[2,3,5,6-tetradeuterio-4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 167405887
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
8-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 177089190
3-dibenzofuran-3-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 170249915
1-(10-phenylanthracen-9-yl)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
6-[10-[5-(7-phenyldibenzofuran-1-yl)naphthalen-1-yl]anthracen-9-yl]benzene-1,2,3,4,5-pentol
CID 163891273
7-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-1-phenyldibenzofuran
CID 170662680
1-[10-(7-phenyldibenzofuran-1-yl)anthracen-9-yl]triphenylen-2-ol
CID 171447261
3-dibenzofuran-1-yl-1-[10-(3,5-diphenylphenyl)anthracen-9-yl]dibenzofuran
CID 167306847
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220

Frequently Asked Questions

What is the IUPAC name of 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran?
The IUPAC name of 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran (CID 134471934) is 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran.
What is the SMILES notation for 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran?
The canonical SMILES for 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran is c1ccc(-c2cccc(-c3ccc4c(c3)oc3cccc(-c5c6ccccc6c(-c6ccccc6)c6ccccc56)c34)c2)cc1.
What is the InChIKey of 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran?
The InChIKey is BCFDTWKFMHSXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28O/c1-3-13-29(14-4-1)31-17-11-18-32(27-31)33-25-26-38-41(28-33)45-40-24-12-23-39(44(38)40)43-36-21-9-7-19-34(36)42(30-15-5-2-6-16-30)35-20-8-10-22-37(35)43/h1-28H.
What are the key properties of 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran?
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran has a molecular weight of 572.71 g/mol, XLogP of 12.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran is sourced from PubChem (CID 134471934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).