2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene

C48H34 — CID 58672231

IUPAC2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
SMILESCCc1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1
InChIInChI=1S/C48H34/c1-2-32-27-28-45-46(29-32)48(38-20-10-18-36(31-38)42-26-12-16-34-14-4-6-22-40(34)42)44-24-8-7-23-43(44)47(45)37-19-9-17-35(30-37)41-25-11-15-33-13-3-5-21-39(33)41/h3-31H,2H2,1H3
InChIKeyFHKFSBHHBVDVOP-UHFFFAOYSA-N
MW610.80 g/mol
LogP13.53
Rot. Bonds5

About 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene

2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene (PubChem CID 58672231) has the molecular formula C48H34 and a molecular weight of 610.80 g/mol. Its IUPAC name is 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene.

Molecular Properties

Compound Name2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
PubChem CID58672231
Molecular FormulaC48H34
Molecular Weight610.80 g/mol
Exact Mass610.27
IUPAC Name2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
SMILESCCc1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1
InChIInChI=1S/C48H34/c1-2-32-27-28-45-46(29-32)48(38-20-10-18-36(31-38)42-26-12-16-34-14-4-6-22-40(34)42)44-24-8-7-23-43(44)47(45)37-19-9-17-35(30-37)41-25-11-15-33-13-3-5-21-39(33)41/h3-31H,2H2,1H3
InChIKeyFHKFSBHHBVDVOP-UHFFFAOYSA-N
XLogP13.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.80
LogP ≤ 513.53
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-1-ylphenyl)anthracene
CID 58323021
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939
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-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
2,10-dinaphthalen-1-yl-9-(3-phenylphenyl)anthracene
CID 58323483
2-(3-naphthalen-1-yl-10-phenylanthracen-9-yl)triphenylene
CID 58323119
9-(3-naphthalen-1-ylphenyl)-10-(6-phenanthren-1-ylnaphthalen-2-yl)anthracene
CID 58194379
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58323576
9-naphthalen-1-yl-10-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]anthracene
CID 153466528
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene?
The IUPAC name of 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene (CID 58672231) is 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene.
What is the SMILES notation for 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene?
The canonical SMILES for 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene is CCc1ccc2c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c2c1.
What is the InChIKey of 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene?
The InChIKey is FHKFSBHHBVDVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34/c1-2-32-27-28-45-46(29-32)48(38-20-10-18-36(31-38)42-26-12-16-34-14-4-6-22-40(34)42)44-24-8-7-23-43(44)47(45)37-19-9-17-35(30-37)41-25-11-15-33-13-3-5-21-39(33)41/h3-31H,2H2,1H3.
What are the key properties of 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene?
2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene has a molecular weight of 610.80 g/mol, XLogP of 13.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene is sourced from PubChem (CID 58672231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).