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

C53H34O — CID 167392397

IUPAC4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3ccccc3c2)c(Cc2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)c1
InChIInChI=1S/C53H34O/c1-2-16-36-32-38(29-28-34(36)14-1)39-19-5-4-17-37(39)33-49-42-21-7-9-23-44(42)51(45-24-10-8-22-43(45)49)48-31-30-46(41-26-13-18-35-15-3-6-20-40(35)41)53-52(48)47-25-11-12-27-50(47)54-53/h1-32H,33H2
InChIKeyWYPOISAQXBRMIL-UHFFFAOYSA-N
MW686.85 g/mol
LogP14.79
Rot. Bonds5

About 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran

4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran (PubChem CID 167392397) has the molecular formula C53H34O and a molecular weight of 686.85 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
PubChem CID167392397
Molecular FormulaC53H34O
Molecular Weight686.85 g/mol
Exact Mass686.26
IUPAC Name4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2ccc3ccccc3c2)c(Cc2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)c1
InChIInChI=1S/C53H34O/c1-2-16-36-32-38(29-28-34(36)14-1)39-19-5-4-17-37(39)33-49-42-21-7-9-23-44(42)51(45-24-10-8-22-43(45)49)48-31-30-46(41-26-13-18-35-15-3-6-20-40(35)41)53-52(48)47-25-11-12-27-50(47)54-53/h1-32H,33H2
InChIKeyWYPOISAQXBRMIL-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-naphthalen-1-ylphenyl)methyl]anthracen-9-yl]dibenzofuran
CID 167394382
4-naphthalen-1-yl-1-(10-phenylanthracen-9-yl)dibenzofuran
CID 138749852
4-naphthalen-1-yl-1-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155335016
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
9-(8-naphthalen-2-ylnaphthalen-2-yl)-10-[(2-phenylphenyl)methyl]anthracene
CID 177264907
1-(10-naphthalen-1-yl-2,3-diphenylanthracen-9-yl)-4-phenyldibenzofuran
CID 168795933
2-(4-naphthalen-2-yldibenzofuran-1-yl)-4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazine
CID 166743608
7-(10-dibenzofuran-1-ylanthracen-9-yl)-1-naphthalen-2-yl-[1]benzofuro[5,6-b][1]benzofuran
CID 176745557
4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]-1-[4-[3-phenyl-4-[10-(1-phenyldibenzofuran-4-yl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 155454220
4-[4-[10-(4-dibenzofuran-1-ylphenyl)anthracen-9-yl]-3-phenylphenyl]-1-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 148826059
1-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 146651916

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran (CID 167392397) is 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran is c1ccc(-c2ccc3ccccc3c2)c(Cc2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4oc5ccccc5c34)c3ccccc23)c1.
What is the InChIKey of 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
The InChIKey is WYPOISAQXBRMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H34O/c1-2-16-36-32-38(29-28-34(36)14-1)39-19-5-4-17-37(39)33-49-42-21-7-9-23-44(42)51(45-24-10-8-22-43(45)49)48-31-30-46(41-26-13-18-35-15-3-6-20-40(35)41)53-52(48)47-25-11-12-27-50(47)54-53/h1-32H,33H2.
What are the key properties of 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran?
4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-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 4-naphthalen-1-yl-1-[10-[(2-naphthalen-2-ylphenyl)methyl]anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 167392397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).