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

C56H36 — CID 58322960

IUPAC2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C56H36/c1-3-15-40-32-44(28-26-37(40)12-1)42-18-9-20-47(34-42)55-51-23-7-8-24-52(51)56(48-21-10-19-43(35-48)45-29-27-38-13-2-4-16-41(38)33-45)54-36-46(30-31-53(54)55)50-25-11-17-39-14-5-6-22-49(39)50/h1-36H
InChIKeyWOILQECXPGXCCR-UHFFFAOYSA-N
MW708.90 g/mol
LogP15.79
Rot. Bonds5

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

2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene (PubChem CID 58322960) has the molecular formula C56H36 and a molecular weight of 708.90 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
PubChem CID58322960
Molecular FormulaC56H36
Molecular Weight708.90 g/mol
Exact Mass708.28
IUPAC Name2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene
SMILESc1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3cc(-c4cccc5ccccc45)ccc23)c1
InChIInChI=1S/C56H36/c1-3-15-40-32-44(28-26-37(40)12-1)42-18-9-20-47(34-42)55-51-23-7-8-24-52(51)56(48-21-10-19-43(35-48)45-29-27-38-13-2-4-16-41(38)33-45)54-36-46(30-31-53(54)55)50-25-11-17-39-14-5-6-22-49(39)50/h1-36H
InChIKeyWOILQECXPGXCCR-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-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
2,9-dinaphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene
CID 58323142
2,6-dinaphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene
CID 159640682
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322858
9-naphthalen-2-yl-10-[3-(8-naphthalen-2-ylnaphthalen-2-yl)phenyl]anthracene
CID 123993822
10-(3-naphthalen-2-ylphenyl)-9-(4-naphthalen-1-ylphenyl)-2-phenylanthracene
CID 58323266
2-naphthalen-1-yl-9-naphthalen-2-yl-10-(3-phenanthren-9-ylphenyl)anthracene
CID 58322677
2-naphthalen-2-yl-9-(3-naphthalen-1-ylphenyl)-10-phenylphenanthrene
CID 59638681
2-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)-9-phenylanthracene;2-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;2-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)-9-phenylanthracene;9-phenyl-10-[4-(3-phenylphenyl)phenyl]anthracene;9-phenyl-10-[4-[3-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 158805732
9,10-dinaphthalen-2-yl-2-(4-naphthalen-1-ylphenyl)anthracene
CID 25112576
2-naphthalen-1-yl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58323021

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The IUPAC name of 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene (CID 58322960) is 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene is c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3cc(-c4cccc5ccccc45)ccc23)c1.
What is the InChIKey of 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
The InChIKey is WOILQECXPGXCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36/c1-3-15-40-32-44(28-26-37(40)12-1)42-18-9-20-47(34-42)55-51-23-7-8-24-52(51)56(48-21-10-19-43(35-48)45-29-27-38-13-2-4-16-41(38)33-45)54-36-46(30-31-53(54)55)50-25-11-17-39-14-5-6-22-49(39)50/h1-36H.
What are the key properties of 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene?
2-naphthalen-1-yl-9,10-bis(3-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 2-naphthalen-1-yl-9,10-bis(3-naphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 58322960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).