2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene

C48H32 — CID 157347994

IUPAC2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C48H32/c1-3-16-33(17-4-1)38-23-9-11-25-41(38)47-43-27-13-14-28-44(43)48(42-26-12-10-24-39(42)34-18-5-2-6-19-34)46-32-36(30-31-45(46)47)40-29-15-21-35-20-7-8-22-37(35)40/h1-32H
InChIKeyGKTFHWSIIUTBQF-UHFFFAOYSA-N
MW608.78 g/mol
LogP13.48
Rot. Bonds5

About 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene

2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene (PubChem CID 157347994) has the molecular formula C48H32 and a molecular weight of 608.78 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
PubChem CID157347994
Molecular FormulaC48H32
Molecular Weight608.78 g/mol
Exact Mass608.25
IUPAC Name2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene
SMILESc1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc23)cc1
InChIInChI=1S/C48H32/c1-3-16-33(17-4-1)38-23-9-11-25-41(38)47-43-27-13-14-28-44(43)48(42-26-12-10-24-39(42)34-18-5-2-6-19-34)46-32-36(30-31-45(46)47)40-29-15-21-35-20-7-8-22-37(35)40/h1-32H
InChIKeyGKTFHWSIIUTBQF-UHFFFAOYSA-N
XLogP13.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.78
LogP ≤ 513.48
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

9,10-dinaphthalen-1-yl-2-(2-phenylphenyl)anthracene
CID 58875728
2-naphthalen-1-yl-9-phenanthren-9-yl-10-(2-phenylphenyl)anthracene
CID 58322909
10-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 58323579
9-naphthalen-1-yl-2-phenyl-10-(2-phenylphenyl)anthracene
CID 58323636
2,9-dinaphthalen-1-yl-10-phenylanthracene;9-naphthalen-1-yl-10-phenyl-2-(5-phenylnaphthalen-1-yl)anthracene
CID 162243145
2-naphthalen-1-yl-9,10-bis(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-naphthalen-1-yl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracene
CID 157235562
2-naphthalen-1-yl-9,10-bis(2-naphthalen-1-ylphenyl)anthracene
CID 172698241
9,10-bis(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-bis(4-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene;9,10-diphenyl-2-(2-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(3-phenylphenyl)anthracene;2-(2-phenylphenyl)-9,10-bis(4-phenylphenyl)anthracene;9-[2-(2-phenylphenyl)phenyl]-10-[10-[2-(2-phenylphenyl)phenyl]anthracen-9-yl]anthracene
CID 159977577
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 58323519
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
10-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)-9-(4-phenylphenyl)anthracene
CID 58323245
2,9-dinaphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene
CID 58322939

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene?
The IUPAC name of 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene (CID 157347994) is 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene is c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccccc3-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc23)cc1.
What is the InChIKey of 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene?
The InChIKey is GKTFHWSIIUTBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32/c1-3-16-33(17-4-1)38-23-9-11-25-41(38)47-43-27-13-14-28-44(43)48(42-26-12-10-24-39(42)34-18-5-2-6-19-34)46-32-36(30-31-45(46)47)40-29-15-21-35-20-7-8-22-37(35)40/h1-32H.
What are the key properties of 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene?
2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene has a molecular weight of 608.78 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-9,10-bis(2-phenylphenyl)anthracene is sourced from PubChem (CID 157347994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).