2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol

C44H32O — CID 170045754

IUPAC2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol
SMILESCCc1c(-c2ccccc2O)cccc1-c1c2ccccc2c(-c2ccccc2-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C44H32O/c1-2-32-34(35-17-11-12-25-42(35)45)23-13-24-36(32)43-38-19-7-9-21-40(38)44(41-22-10-8-20-39(41)43)37-18-6-5-16-33(37)31-27-26-29-14-3-4-15-30(29)28-31/h3-28,45H,2H2,1H3
InChIKeyXULKWTQRWBZSTK-UHFFFAOYSA-N
MW576.74 g/mol
LogP12.08
Rot. Bonds5

About 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol

2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol (PubChem CID 170045754) has the molecular formula C44H32O and a molecular weight of 576.74 g/mol. Its IUPAC name is 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol.

Molecular Properties

Compound Name2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol
PubChem CID170045754
Molecular FormulaC44H32O
Molecular Weight576.74 g/mol
Exact Mass576.25
IUPAC Name2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol
SMILESCCc1c(-c2ccccc2O)cccc1-c1c2ccccc2c(-c2ccccc2-c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C44H32O/c1-2-32-34(35-17-11-12-25-42(35)45)23-13-24-36(32)43-38-19-7-9-21-40(38)44(41-22-10-8-20-39(41)43)37-18-6-5-16-33(37)31-27-26-29-14-3-4-15-30(29)28-31/h3-28,45H,2H2,1H3
InChIKeyXULKWTQRWBZSTK-UHFFFAOYSA-N
XLogP12.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.74
LogP ≤ 512.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9,10-bis(2-naphthalen-1-ylphenyl)anthracene;9,10-bis(2-naphthalen-2-ylphenyl)anthracene
CID 160569963
9-ethyl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene
CID 159616187
9-naphthalen-1-yl-2-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene
CID 58323226
9-(2-naphthalen-2-ylphenyl)-10-(3-naphthalen-2-ylphenyl)anthracene
CID 144568902
9-ethyl-10-naphthalen-2-ylanthracene
CID 143444762
10-naphthalen-1-yl-2-(2-naphthalen-1-ylphenyl)-9-(2-naphthalen-2-ylphenyl)anthracene
CID 58322843
ethane;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene
CID 91401240
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(2-phenylphenyl)anthracene
CID 58323519
2-(2-hydroxy-3-naphthalen-2-ylphenyl)-6-naphthalen-2-ylphenol
CID 24741043
bis(9-(3-naphthalen-1-ylphenyl)-10-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene);9-(4-naphthalen-2-ylphenyl)-10-[4-[10-(4-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]anthracene;9-(2-phenylphenyl)-10-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]anthracene;9-[2-(4-phenylphenyl)phenyl]-10-[4-[10-[2-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 160597374
9-naphthalen-1-yl-10-[6-(6-naphthalen-1-ylnaphthalen-2-yl)naphthalen-2-yl]anthracene
CID 123515173
9-naphthalen-1-yl-10-(7-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(7-naphthalen-2-ylnaphthalen-2-yl)anthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-phenylanthracene;9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-phenylanthracene;9-(7-naphthalen-1-ylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-(7-naphthalen-2-ylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(7-phenylnaphthalen-2-yl)anthracene;9-(7-phenylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene
CID 163618138

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol?
The IUPAC name of 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol (CID 170045754) is 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol.
What is the SMILES notation for 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol?
The canonical SMILES for 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol is CCc1c(-c2ccccc2O)cccc1-c1c2ccccc2c(-c2ccccc2-c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol?
The InChIKey is XULKWTQRWBZSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32O/c1-2-32-34(35-17-11-12-25-42(35)45)23-13-24-36(32)43-38-19-7-9-21-40(38)44(41-22-10-8-20-39(41)43)37-18-6-5-16-33(37)31-27-26-29-14-3-4-15-30(29)28-31/h3-28,45H,2H2,1H3.
What are the key properties of 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol?
2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol has a molecular weight of 576.74 g/mol, XLogP of 12.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-3-[10-(2-naphthalen-2-ylphenyl)anthracen-9-yl]phenyl]phenol is sourced from PubChem (CID 170045754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).