9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene

C48H35OP — CID 140947009

IUPAC9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
SMILESCP(C)(=O)c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3ccccc23)cc1
InChIInChI=1S/C48H35OP/c1-50(2,49)42-25-23-34(24-26-42)47-43-15-7-9-17-45(43)48(46-18-10-8-16-44(46)47)41-30-39(37-21-19-32-11-3-5-13-35(32)27-37)29-40(31-41)38-22-20-33-12-4-6-14-36(33)28-38/h3-31H,1-2H3
InChIKeySUURLKQGMWDKEL-UHFFFAOYSA-N
MW658.78 g/mol
LogP13.22
Rot. Bonds5

About 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene

9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene (PubChem CID 140947009) has the molecular formula C48H35OP and a molecular weight of 658.78 g/mol. Its IUPAC name is 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene.

Molecular Properties

Compound Name9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
PubChem CID140947009
Molecular FormulaC48H35OP
Molecular Weight658.78 g/mol
Exact Mass658.24
IUPAC Name9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
SMILESCP(C)(=O)c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3ccccc23)cc1
InChIInChI=1S/C48H35OP/c1-50(2,49)42-25-23-34(24-26-42)47-43-15-7-9-17-45(43)48(46-18-10-8-16-44(46)47)41-30-39(37-21-19-32-11-3-5-13-35(32)27-37)29-40(31-41)38-22-20-33-12-4-6-14-36(33)28-38/h3-31H,1-2H3
InChIKeySUURLKQGMWDKEL-UHFFFAOYSA-N
XLogP13.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.78
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-methylidene-[4-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-λ5-phosphane
CID 159522397
9-[6-(3-naphthalen-2-yl-5-phenylphenyl)naphthalen-2-yl]-10-phenylanthracene
CID 58590127
9,10-bis(3-naphthalen-2-yl-5-phenylphenyl)anthracene
CID 59557528
9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 21022512
9-(3,5-diphenylphenyl)-10-phenylanthracene;9-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-10-phenylanthracene;9-phenyl-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 161401825
9-[3-(3,5-diphenylphenyl)phenyl]-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene
CID 59798540
9-(4-naphthalen-2-ylphenyl)-10-[7-(4-naphthalen-2-ylphenyl)naphthalen-2-yl]anthracene
CID 123965396
9-(4-naphthalen-2-ylphenyl)-10-(3-phenylphenyl)anthracene
CID 58151267
9-naphthalen-2-yl-10-[7-[7-[3-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546693
9-(3-naphthalen-2-ylphenyl)-10-[4-(4-phenylphenyl)phenyl]anthracene
CID 144568868
9-[3,5-bis[4-(3-phenylphenyl)phenyl]phenyl]-10-naphthalen-2-ylanthracene
CID 58965758
9-(4-naphthalen-2-ylphenyl)-10-[3-(3-phenylphenyl)phenyl]anthracene
CID 144568832

Frequently Asked Questions

What is the IUPAC name of 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene?
The IUPAC name of 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene (CID 140947009) is 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene.
What is the SMILES notation for 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene?
The canonical SMILES for 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene is CP(C)(=O)c1ccc(-c2c3ccccc3c(-c3cc(-c4ccc5ccccc5c4)cc(-c4ccc5ccccc5c4)c3)c3ccccc23)cc1.
What is the InChIKey of 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene?
The InChIKey is SUURLKQGMWDKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H35OP/c1-50(2,49)42-25-23-34(24-26-42)47-43-15-7-9-17-45(43)48(46-18-10-8-16-44(46)47)41-30-39(37-21-19-32-11-3-5-13-35(32)27-37)29-40(31-41)38-22-20-33-12-4-6-14-36(33)28-38/h3-31H,1-2H3.
What are the key properties of 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene?
9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene has a molecular weight of 658.78 g/mol, XLogP of 13.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene is sourced from PubChem (CID 140947009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).