1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran

C50H30O2 — CID 168795804

IUPAC1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2ccc3c(-c4cccc5oc6ccccc6c45)c4ccc(-c5ccccc5)cc4c(-c4cccc5oc6ccccc6c45)c3c2)cc1
InChIInChI=1S/C50H30O2/c1-3-13-31(14-4-1)33-25-27-35-41(29-33)48(40-20-12-24-46-50(40)38-18-8-10-22-44(38)52-46)42-30-34(32-15-5-2-6-16-32)26-28-36(42)47(35)39-19-11-23-45-49(39)37-17-7-9-21-43(37)51-45/h1-30H
InChIKeyCPOCWRXPMMUYFT-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.46
Rot. Bonds4

About 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran

1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran (PubChem CID 168795804) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran.

Molecular Properties

Compound Name1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
PubChem CID168795804
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran
SMILESc1ccc(-c2ccc3c(-c4cccc5oc6ccccc6c45)c4ccc(-c5ccccc5)cc4c(-c4cccc5oc6ccccc6c45)c3c2)cc1
InChIInChI=1S/C50H30O2/c1-3-13-31(14-4-1)33-25-27-35-41(29-33)48(40-20-12-24-46-50(40)38-18-8-10-22-44(38)52-46)42-30-34(32-15-5-2-6-16-32)26-28-36(42)47(35)39-19-11-23-45-49(39)37-17-7-9-21-43(37)51-45/h1-30H
InChIKeyCPOCWRXPMMUYFT-UHFFFAOYSA-N
XLogP14.46
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.79
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-9-[4-[9-phenyl-10-(8-phenyldibenzofuran-1-yl)anthracen-2-yl]phenyl]dibenzofuran
CID 139396293
1-(10-phenylanthracen-9-yl)-7-(3-phenylphenyl)dibenzofuran
CID 134471934
8-phenyl-1-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]dibenzofuran
CID 174167530
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-[3-phenyl-10-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170653891
1-[10-[7-[7-(10-phenylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]anthracen-9-yl]dibenzofuran
CID 170448220
1-phenyl-7-[10-(3-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 174167645
1-[10-[7-[8-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-1-yl]anthracen-9-yl]dibenzofuran
CID 170448028
1-(10-dibenzofuran-1-ylanthracen-9-yl)-7-phenylbenzo[e][1]benzofuran
CID 174306635
1-[7-(2,3,4,5,6-pentadeuteriophenyl)-9,10-diphenylanthracen-2-yl]dibenzofuran
CID 168795926
1-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]-8-phenyldibenzofuran
CID 174167556

Frequently Asked Questions

What is the IUPAC name of 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran?
The IUPAC name of 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran (CID 168795804) is 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran.
What is the SMILES notation for 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran?
The canonical SMILES for 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran is c1ccc(-c2ccc3c(-c4cccc5oc6ccccc6c45)c4ccc(-c5ccccc5)cc4c(-c4cccc5oc6ccccc6c45)c3c2)cc1.
What is the InChIKey of 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran?
The InChIKey is CPOCWRXPMMUYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-3-13-31(14-4-1)33-25-27-35-41(29-33)48(40-20-12-24-46-50(40)38-18-8-10-22-44(38)52-46)42-30-34(32-15-5-2-6-16-32)26-28-36(42)47(35)39-19-11-23-45-49(39)37-17-7-9-21-43(37)51-45/h1-30H.
What are the key properties of 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran?
1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran has a molecular weight of 662.79 g/mol, XLogP of 14.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-dibenzofuran-1-yl-2,7-diphenylanthracen-9-yl)dibenzofuran is sourced from PubChem (CID 168795804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).