9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene

C56H36 — CID 162700922

IUPAC9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C56H36/c1-4-13-42-32-47(27-22-37(42)10-1)40-20-25-41(26-21-40)55-51-18-7-8-19-52(51)56(50-29-24-39-12-3-6-15-44(39)35-50)54-36-49(30-31-53(54)55)46-17-9-16-45(34-46)48-28-23-38-11-2-5-14-43(38)33-48/h1-36H
InChIKeyBONMZIVSEZSXQD-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene

9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene (PubChem CID 162700922) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
PubChem CID162700922
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C56H36/c1-4-13-42-32-47(27-22-37(42)10-1)40-20-25-41(26-21-40)55-51-18-7-8-19-52(51)56(50-29-24-39-12-3-6-15-44(39)35-50)54-36-49(30-31-53(54)55)46-17-9-16-45(34-46)48-28-23-38-11-2-5-14-43(38)33-48/h1-36H
InChIKeyBONMZIVSEZSXQD-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

10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-phenyl-2,6-bis(4-phenylphenyl)anthracene
CID 123814094
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
2,6-dinaphthalen-2-yl-9,10-diphenylanthracene;9,10-dinaphthalen-2-yl-2,6-diphenylanthracene;2,6,9,10-tetraphenylanthracene
CID 158610723
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
10-naphthalen-2-yl-9-[6-[6-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]naphthalen-2-yl]-2-phenylanthracene
CID 123979436
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
2,7-bis(9,10-dinaphthalen-2-ylanthracen-2-yl)triphenylene;2,7-bis(9,10-diphenylanthracen-2-yl)triphenylene;2-[4-[4-(9,10-diphenylanthracen-2-yl)phenyl]phenyl]triphenylene
CID 160662323
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
2-[3-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]triphenylene
CID 59583027
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene (CID 162700922) is 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)c1.
What is the InChIKey of 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene?
The InChIKey is BONMZIVSEZSXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-4-13-42-32-47(27-22-37(42)10-1)40-20-25-41(26-21-40)55-51-18-7-8-19-52(51)56(50-29-24-39-12-3-6-15-44(39)35-50)54-36-49(30-31-53(54)55)46-17-9-16-45(34-46)48-28-23-38-11-2-5-14-43(38)33-48/h1-36H.
What are the key properties of 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene?
9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-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 9-naphthalen-2-yl-2-(3-naphthalen-2-ylphenyl)-10-(4-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 162700922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).