9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene

C56H36 — CID 58323308

IUPAC9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C56H36/c1-2-15-37(16-3-1)41-31-32-53-54(36-41)55(51-26-10-11-27-52(51)56(53)50-30-14-22-40-19-6-9-25-47(40)50)44-34-42(48-28-12-20-38-17-4-7-23-45(38)48)33-43(35-44)49-29-13-21-39-18-5-8-24-46(39)49/h1-36H
InChIKeyFDWPOMNSFSMMMG-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

About 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene

9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene (PubChem CID 58323308) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene.

Molecular Properties

Compound Name9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
PubChem CID58323308
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene
SMILESc1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)c4)c3c2)cc1
InChIInChI=1S/C56H36/c1-2-15-37(16-3-1)41-31-32-53-54(36-41)55(51-26-10-11-27-52(51)56(53)50-30-14-22-40-19-6-9-25-47(40)50)44-34-42(48-28-12-20-38-17-4-7-23-45(38)48)33-43(35-44)49-29-13-21-39-18-5-8-24-46(39)49/h1-36H
InChIKeyFDWPOMNSFSMMMG-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

2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
9-naphthalen-1-yl-2-phenyl-10-(3-phenylphenyl)anthracene
CID 58323615
10-naphthalen-1-yl-2-phenyl-9-(3-phenylphenyl)anthracene
CID 58323039
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
9-naphthalen-1-yl-2,6-diphenyl-10-(5-phenylnaphthalen-1-yl)anthracene;10-naphthalen-1-yl-2-phenyl-9-(5-phenylnaphthalen-1-yl)anthracene;2,7,10-triphenyl-9-(5-phenylnaphthalen-1-yl)anthracene
CID 163914119
9-naphthalen-1-yl-2-(9-naphthalen-1-yl-10-phenylanthracen-2-yl)-10-phenylanthracene
CID 59557553
9,10-dinaphthalen-1-yl-2-phenylanthracene;ethane
CID 160747045
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2-(4-methylphenyl)-10-naphthalen-1-yl-9-phenylanthracene
CID 59766405
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
9-naphthalen-1-yl-10-phenanthren-3-yl-2-phenylanthracene
CID 58194333

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene?
The IUPAC name of 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene (CID 58323308) is 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene.
What is the SMILES notation for 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene?
The canonical SMILES for 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene is c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cc(-c5cccc6ccccc56)cc(-c5cccc6ccccc56)c4)c3c2)cc1.
What is the InChIKey of 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene?
The InChIKey is FDWPOMNSFSMMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-2-15-37(16-3-1)41-31-32-53-54(36-41)55(51-26-10-11-27-52(51)56(53)50-30-14-22-40-19-6-9-25-47(40)50)44-34-42(48-28-12-20-38-17-4-7-23-45(38)48)33-43(35-44)49-29-13-21-39-18-5-8-24-46(39)49/h1-36H.
What are the key properties of 9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene?
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene 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-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-phenylanthracene is sourced from PubChem (CID 58323308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).