9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene

C56H36 — CID 123965396

IUPAC9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc2cc(-c3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc67)cc5c4)cc3)ccc2c1
InChIInChI=1S/C56H36/c1-3-11-44-33-46(29-23-37(44)9-1)39-17-19-40(20-18-39)48-31-25-42-26-32-49(36-50(42)35-48)56-53-15-7-5-13-51(53)55(52-14-6-8-16-54(52)56)43-27-21-41(22-28-43)47-30-24-38-10-2-4-12-45(38)34-47/h1-36H
InChIKeyJHULIYXDNZCLRD-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene

9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene (PubChem CID 123965396) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene.

Molecular Properties

Compound Name9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
PubChem CID123965396
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
SMILESc1ccc2cc(-c3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc67)cc5c4)cc3)ccc2c1
InChIInChI=1S/C56H36/c1-3-11-44-33-46(29-23-37(44)9-1)39-17-19-40(20-18-39)48-31-25-42-26-32-49(36-50(42)35-48)56-53-15-7-5-13-51(53)55(52-14-6-8-16-54(52)56)43-27-21-41(22-28-43)47-30-24-38-10-2-4-12-45(38)34-47/h1-36H
InChIKeyJHULIYXDNZCLRD-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

9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
9-naphthalen-2-yl-10-[7-(10-naphthalen-2-ylanthracen-9-yl)naphthalen-2-yl]anthracene
CID 153438358
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
2-[10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracen-9-yl]triphenylene
CID 123954707
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832
9,10-dinaphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)anthracene
CID 59136606
9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 140927427

Frequently Asked Questions

What is the IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene?
The IUPAC name of 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene (CID 123965396) is 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene.
What is the SMILES notation for 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene?
The canonical SMILES for 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene is c1ccc2cc(-c3ccc(-c4ccc5ccc(-c6c7ccccc7c(-c7ccc(-c8ccc9ccccc9c8)cc7)c7ccccc67)cc5c4)cc3)ccc2c1.
What is the InChIKey of 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene?
The InChIKey is JHULIYXDNZCLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-3-11-44-33-46(29-23-37(44)9-1)39-17-19-40(20-18-39)48-31-25-42-26-32-49(36-50(42)35-48)56-53-15-7-5-13-51(53)55(52-14-6-8-16-54(52)56)43-27-21-41(22-28-43)47-30-24-38-10-2-4-12-45(38)34-47/h1-36H.
What are the key properties of 9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene?
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]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-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene is sourced from PubChem (CID 123965396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).