6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran

C53H34O — CID 167394382

IUPAC6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc3ccccc23)c(Cc2c3ccccc3c(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)c1
InChIInChI=1S/C53H34O/c1-4-20-37-34(15-1)18-11-27-40(37)39-22-6-3-17-36(39)33-49-42-23-7-9-25-44(42)51(45-26-10-8-24-43(45)49)47-30-14-32-50-52(47)48-31-13-29-46(53(48)54-50)41-28-12-19-35-16-2-5-21-38(35)41/h1-32H,33H2
InChIKeyYHNGGNAINXYXND-UHFFFAOYSA-N
MW686.85 g/mol
LogP14.79
Rot. Bonds5

About 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran

6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran (PubChem CID 167394382) has the molecular formula C53H34O and a molecular weight of 686.85 g/mol. Its IUPAC name is 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
PubChem CID167394382
Molecular FormulaC53H34O
Molecular Weight686.85 g/mol
Exact Mass686.26
IUPAC Name6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2cccc3ccccc23)c(Cc2c3ccccc3c(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)c1
InChIInChI=1S/C53H34O/c1-4-20-37-34(15-1)18-11-27-40(37)39-22-6-3-17-36(39)33-49-42-23-7-9-25-44(42)51(45-26-10-8-24-43(45)49)47-30-14-32-50-52(47)48-31-13-29-46(53(48)54-50)41-28-12-19-35-16-2-5-21-38(35)41/h1-32H,33H2
InChIKeyYHNGGNAINXYXND-UHFFFAOYSA-N
XLogP14.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.85
LogP ≤ 514.79
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-naphthalen-1-yl-1-[10-[(2-phenanthren-9-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167395094
6-phenyl-1-[10-[(2-phenylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167393021
4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167392397
1-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-6-phenyldibenzofuran
CID 176751774
8-(10-naphthalen-1-yl-8-naphtho[2,1-b][1]benzofuran-8-ylanthracen-1-yl)naphtho[2,1-b][1]benzofuran
CID 155333434
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
1-bromo-6-naphthalen-1-yldibenzofuran
CID 134401872
7-[10-[4-(2-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174272834
4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155335016
6-(10-naphthalen-1-ylanthracen-9-yl)-[1]benzothiolo[4,5-b][1]benzofuran
CID 176743719
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
4-(10-naphthalen-1-yl-8-naphtho[2,3-b][1]benzofuran-4-ylanthracen-1-yl)naphtho[2,3-b][1]benzofuran
CID 135183399

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran (CID 167394382) is 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran is c1ccc(-c2cccc3ccccc23)c(Cc2c3ccccc3c(-c3cccc4oc5c(-c6cccc7ccccc67)cccc5c34)c3ccccc23)c1.
What is the InChIKey of 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The InChIKey is YHNGGNAINXYXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O/c1-4-20-37-34(15-1)18-11-27-40(37)39-22-6-3-17-36(39)33-49-42-23-7-9-25-44(42)51(45-26-10-8-24-43(45)49)47-30-14-32-50-52(47)48-31-13-29-46(53(48)54-50)41-28-12-19-35-16-2-5-21-38(35)41/h1-32H,33H2.
What are the key properties of 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran has a molecular weight of 686.85 g/mol, XLogP of 14.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-1-yl-1-[10-[(2-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167394382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).