2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran

C50H30O2 — CID 171447273

IUPAC2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3ccccc34)c2-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C50H30O2/c1-2-13-31(14-3-1)34-21-12-22-35(32-25-27-38-36-15-8-10-23-44(36)52-47(38)30-32)49(34)50-41-19-6-4-17-39(41)48(40-18-5-7-20-42(40)50)33-26-28-46-43(29-33)37-16-9-11-24-45(37)51-46/h1-30H
InChIKeyOLMNWQBHNYEYLM-UHFFFAOYSA-N
MW662.79 g/mol
LogP14.46
Rot. Bonds4

About 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran

2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 171447273) has the molecular formula C50H30O2 and a molecular weight of 662.79 g/mol. Its IUPAC name is 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID171447273
Molecular FormulaC50H30O2
Molecular Weight662.79 g/mol
Exact Mass662.22
IUPAC Name2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3ccc4c(c3)oc3ccccc34)c2-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1
InChIInChI=1S/C50H30O2/c1-2-13-31(14-3-1)34-21-12-22-35(32-25-27-38-36-15-8-10-23-44(36)52-47(38)30-32)49(34)50-41-19-6-4-17-39(41)48(40-18-5-7-20-42(40)50)33-26-28-46-43(29-33)37-16-9-11-24-45(37)51-46/h1-30H
InChIKeyOLMNWQBHNYEYLM-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

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-(10-dibenzofuran-3-ylanthracen-9-yl)dibenzofuran
CID 135208637
2-[3-phenyl-2-(10-triphenylen-1-ylanthracen-9-yl)phenyl]dibenzofuran
CID 171447225
2-(10-dibenzofuran-2-yl-3-phenylanthracen-9-yl)-7-naphthalen-1-yldibenzofuran
CID 168795842
7-[10-(2-phenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 170654309
7-[7-(10-phenylanthracen-9-yl)dibenzofuran-2-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415848
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-(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
2-dibenzofuran-3-yl-1-[5-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164786
3-[8-dibenzofuran-3-yl-10-(4-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155334112
7-(10-phenylanthracen-9-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122425853
2-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]dibenzofuran;3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran;2-[4-(10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 159962992

Frequently Asked Questions

What is the IUPAC name of 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran (CID 171447273) is 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2cccc(-c3ccc4c(c3)oc3ccccc34)c2-c2c3ccccc3c(-c3ccc4oc5ccccc5c4c3)c3ccccc23)cc1.
What is the InChIKey of 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is OLMNWQBHNYEYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30O2/c1-2-13-31(14-3-1)34-21-12-22-35(32-25-27-38-36-15-8-10-23-44(36)52-47(38)30-32)49(34)50-41-19-6-4-17-39(41)48(40-18-5-7-20-42(40)50)33-26-28-46-43(29-33)37-16-9-11-24-45(37)51-46/h1-30H.
What are the key properties of 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran?
2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-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 2-[10-(2-dibenzofuran-3-yl-6-phenylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 171447273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).