2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene

C56H36 — CID 172698241

IUPAC2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H36/c1-4-22-41-37(16-1)19-13-31-44(41)40-34-35-53-54(36-40)56(50-28-10-8-26-48(50)46-33-15-21-39-18-3-6-24-43(39)46)52-30-12-11-29-51(52)55(53)49-27-9-7-25-47(49)45-32-14-20-38-17-2-5-23-42(38)45/h1-36H
InChIKeyCPOJMZXUWXXSFG-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene

2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene (PubChem CID 172698241) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
PubChem CID172698241
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
SMILESc1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C56H36/c1-4-22-41-37(16-1)19-13-31-44(41)40-34-35-53-54(36-40)56(50-28-10-8-26-48(50)46-33-15-21-39-18-3-6-24-43(39)46)52-30-12-11-29-51(52)55(53)49-27-9-7-25-47(49)45-32-14-20-38-17-2-5-23-42(38)45/h1-36H
InChIKeyCPOJMZXUWXXSFG-UHFFFAOYSA-N
XLogP15.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.90
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
CID 157347994
2,10-dinaphthalen-1-yl-9-(2-phenanthren-9-ylphenyl)anthracene
CID 58322783
10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
CID 58322843
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-2,9-diphenylanthracene
CID 91534318
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021
2,9-dinaphthalen-2-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 58322851
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 22138017
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene
CID 161364950

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene (CID 172698241) is 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene is c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3cc(-c4cccc5ccccc45)ccc23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene?
The InChIKey is CPOJMZXUWXXSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-4-22-41-37(16-1)19-13-31-44(41)40-34-35-53-54(36-40)56(50-28-10-8-26-48(50)46-33-15-21-39-18-3-6-24-43(39)46)52-30-12-11-29-51(52)55(53)49-27-9-7-25-47(49)45-32-14-20-38-17-2-5-23-42(38)45/h1-36H.
What are the key properties of 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene?
2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene has a molecular weight of 708.90 g/mol, XLogP of 15.79, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 172698241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).