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

C52H32O — CID 155335093

IUPAC3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c(cc3-c3cccc5ccccc35)oc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C52H32O/c1-3-19-35-33(15-1)17-13-28-37(35)39-21-5-6-23-41(39)51-42-24-7-9-26-44(42)52(45-27-10-8-25-43(45)51)48-31-47-40-22-11-12-30-49(40)53-50(47)32-46(48)38-29-14-18-34-16-2-4-20-36(34)38/h1-32H
InChIKeyKHLHRJGNEUDSIG-UHFFFAOYSA-N
MW672.83 g/mol
LogP14.87
Rot. Bonds4

About 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran

3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 155335093) has the molecular formula C52H32O and a molecular weight of 672.83 g/mol. Its IUPAC name is 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID155335093
Molecular FormulaC52H32O
Molecular Weight672.83 g/mol
Exact Mass672.25
IUPAC Name3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran
SMILESc1ccc(-c2c3ccccc3c(-c3cc4c(cc3-c3cccc5ccccc35)oc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C52H32O/c1-3-19-35-33(15-1)17-13-28-37(35)39-21-5-6-23-41(39)51-42-24-7-9-26-44(42)52(45-27-10-8-25-43(45)51)48-31-47-40-22-11-12-30-49(40)53-50(47)32-46(48)38-29-14-18-34-16-2-4-20-36(34)38/h1-32H
InChIKeyKHLHRJGNEUDSIG-UHFFFAOYSA-N
XLogP14.87
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.83
LogP ≤ 514.87
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

3-naphthalen-1-yl-2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 155335055
7-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]naphtho[2,3-b][1]benzofuran
CID 122415581
2-(10-naphthalen-1-ylanthracen-9-yl)dibenzofuran
CID 58151301
7-(10-naphthalen-1-ylanthracen-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 122425860
3-phenyl-2-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 155334783
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
2-(9,10-dinaphthalen-1-ylanthracen-2-yl)dibenzofuran
CID 58322852
7-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-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 122415800
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-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 122426272
1-(10-naphthalen-1-ylanthracen-9-yl)naphtho[2,3-b][1]benzofuran
CID 122415544
5-(10-naphthalen-1-ylanthracen-9-yl)naphtho[1,2-b][1]benzofuran
CID 88568856
2-[5-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 146652642

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran (CID 155335093) is 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran is c1ccc(-c2c3ccccc3c(-c3cc4c(cc3-c3cccc5ccccc35)oc3ccccc34)c3ccccc23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is KHLHRJGNEUDSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32O/c1-3-19-35-33(15-1)17-13-28-37(35)39-21-5-6-23-41(39)51-42-24-7-9-26-44(42)52(45-27-10-8-25-43(45)51)48-31-47-40-22-11-12-30-49(40)53-50(47)32-46(48)38-29-14-18-34-16-2-4-20-36(34)38/h1-32H.
What are the key properties of 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran?
3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 672.83 g/mol, XLogP of 14.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-2-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 155335093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).