2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene

C56H36 — CID 159640682

IUPAC2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(-c5cccc6ccccc56)cc34)c2)cc1
InChIInChI=1S/C56H36/c1-2-13-37(14-3-1)42-21-10-22-45(33-42)55-51-31-29-44(50-26-12-20-40-17-7-9-24-48(40)50)36-54(51)56(46-28-27-38-15-4-5-18-41(38)34-46)52-32-30-43(35-53(52)55)49-25-11-19-39-16-6-8-23-47(39)49/h1-36H
InChIKeyVKLOMRDUCSYDST-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene

2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene (PubChem CID 159640682) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene.

Molecular Properties

Compound Name2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
PubChem CID159640682
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
SMILESc1ccc(-c2cccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(-c5cccc6ccccc56)cc34)c2)cc1
InChIInChI=1S/C56H36/c1-2-13-37(14-3-1)42-21-10-22-45(33-42)55-51-31-29-44(50-26-12-20-40-17-7-9-24-48(40)50)36-54(51)56(46-28-27-38-15-4-5-18-41(38)34-46)52-32-30-43(35-53(52)55)49-25-11-19-39-16-6-8-23-47(39)49/h1-36H
InChIKeyVKLOMRDUCSYDST-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(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-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-naphthalen-2-ylphenyl)anthracene
CID 58322767
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;9-phenyl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[4-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 158805732
9,10-bis(3,5-diphenylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracene
CID 158006720
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene
CID 159387221
2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-9-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-9-(4-naphthalen-1-ylphenyl)-10-(2-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 159983739
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene
CID 59638681
9,10-bis(3-naphthalen-1-ylphenyl)anthracene;9,10-bis(3-naphthalen-2-ylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)anthracene;9,10-bis(4-naphthalen-2-ylphenyl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-naphthalen-2-ylphenyl)-10-(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 161131758
10-naphthalen-1-yl-9-naphthalen-2-yl-2-(4-phenylphenyl)anthracene
CID 59766348

Frequently Asked Questions

What is the IUPAC name of 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene?
The IUPAC name of 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene (CID 159640682) is 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene.
What is the SMILES notation for 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene?
The canonical SMILES for 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene is c1ccc(-c2cccc(-c3c4ccc(-c5cccc6ccccc56)cc4c(-c4ccc5ccccc5c4)c4ccc(-c5cccc6ccccc56)cc34)c2)cc1.
What is the InChIKey of 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene?
The InChIKey is VKLOMRDUCSYDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-2-13-37(14-3-1)42-21-10-22-45(33-42)55-51-31-29-44(50-26-12-20-40-17-7-9-24-48(40)50)36-54(51)56(46-28-27-38-15-4-5-18-41(38)34-46)52-32-30-43(35-53(52)55)49-25-11-19-39-16-6-8-23-47(39)49/h1-36H.
What are the key properties of 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene?
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)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 2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene is sourced from PubChem (CID 159640682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).