10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene

C56H36 — CID 58322843

IUPAC10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc(-c2cccc3ccccc23)c(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C56H36/c1-2-18-40-35-41(32-31-37(40)15-1)46-24-8-10-26-49(46)56-52-28-12-11-27-51(52)55(50-30-14-20-39-17-4-6-22-44(39)50)53-34-33-42(36-54(53)56)45-23-7-9-25-47(45)48-29-13-19-38-16-3-5-21-43(38)48/h1-36H
InChIKeyRTRVIXOSRUQTFW-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

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

10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene (PubChem CID 58322843) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
PubChem CID58322843
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
SMILESc1ccc(-c2cccc3ccccc23)c(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c3c2)c1
InChIInChI=1S/C56H36/c1-2-18-40-35-41(32-31-37(40)15-1)46-24-8-10-26-49(46)56-52-28-12-11-27-51(52)55(50-30-14-20-39-17-4-6-22-44(39)50)53-34-33-42(36-54(53)56)45-23-7-9-25-47(45)48-29-13-19-38-16-3-5-21-43(38)48/h1-36H
InChIKeyRTRVIXOSRUQTFW-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-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
2,9-dinaphthalen-2-yl-10-(2-naphthalen-1-ylphenyl)anthracene
CID 58322851
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 58323519
2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 172698241
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 140856123
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
9-(3,5-dinaphthalen-1-ylphenyl)-10-naphthalen-1-yl-2-naphthalen-2-ylanthracene
CID 58323614
3-(2-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)fluoranthene
CID 58323557
9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728

Frequently Asked Questions

What is the IUPAC name of 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene (CID 58322843) is 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene is c1ccc(-c2cccc3ccccc23)c(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4-c4ccc5ccccc5c4)c3c2)c1.
What is the InChIKey of 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene?
The InChIKey is RTRVIXOSRUQTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-2-18-40-35-41(32-31-37(40)15-1)46-24-8-10-26-49(46)56-52-28-12-11-27-51(52)55(50-30-14-20-39-17-4-6-22-44(39)50)53-34-33-42(36-54(53)56)45-23-7-9-25-47(45)48-29-13-19-38-16-3-5-21-43(38)48/h1-36H.
What are the key properties of 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene?
10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-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 10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 58322843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).