2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene

C56H36 — CID 58323021

IUPAC2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C56H36/c1-4-24-45-37(14-1)17-11-29-48(45)40-20-9-22-43(34-40)55-51-27-7-8-28-52(51)56(44-23-10-21-41(35-44)49-30-12-18-38-15-2-5-25-46(38)49)54-36-42(32-33-53(54)55)50-31-13-19-39-16-3-6-26-47(39)50/h1-36H
InChIKeyJAYMXHGYMIAOHT-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene

2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene (PubChem CID 58323021) 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(3-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
PubChem CID58323021
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
SMILESc1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C56H36/c1-4-24-45-37(14-1)17-11-29-48(45)40-20-9-22-43(34-40)55-51-27-7-8-28-52(51)56(44-23-10-21-41(35-44)49-30-12-18-38-15-2-5-25-46(38)49)54-36-42(32-33-53(54)55)50-31-13-19-39-16-3-6-26-47(39)50/h1-36H
InChIKeyJAYMXHGYMIAOHT-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

2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
CID 58322960
2-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58323030
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene (CID 58323021) is 2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene is c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3cc(-c4cccc5ccccc45)ccc23)c1.
What is the InChIKey of 2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene?
The InChIKey is JAYMXHGYMIAOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-4-24-45-37(14-1)17-11-29-48(45)40-20-9-22-43(34-40)55-51-27-7-8-28-52(51)56(44-23-10-21-41(35-44)49-30-12-18-38-15-2-5-25-46(38)49)54-36-42(32-33-53(54)55)50-31-13-19-39-16-3-6-26-47(39)50/h1-36H.
What are the key properties of 2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene?
2-naphthalen-1-yl-9,10-bis(3-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(3-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 58323021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).