9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene

C28H23OP — CID 145317230

IUPAC9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene
SMILESCP(C)(=O)c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C28H23OP/c1-30(2,29)28-25-14-8-6-12-23(25)27(24-13-7-9-15-26(24)28)22-18-16-21(17-19-22)20-10-4-3-5-11-20/h3-19H,1-2H3
InChIKeyUIVONVBSOLNASA-UHFFFAOYSA-N
MW406.47 g/mol
LogP7.57
Rot. Bonds3

About 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene

9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene (PubChem CID 145317230) has the molecular formula C28H23OP and a molecular weight of 406.47 g/mol. Its IUPAC name is 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene.

Molecular Properties

Compound Name9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene
PubChem CID145317230
Molecular FormulaC28H23OP
Molecular Weight406.47 g/mol
Exact Mass406.15
IUPAC Name9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene
SMILESCP(C)(=O)c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12
InChIInChI=1S/C28H23OP/c1-30(2,29)28-25-14-8-6-12-23(25)27(24-13-7-9-15-26(24)28)22-18-16-21(17-19-22)20-10-4-3-5-11-20/h3-19H,1-2H3
InChIKeyUIVONVBSOLNASA-UHFFFAOYSA-N
XLogP7.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 57.57
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

9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
dimethyl-methylidene-[4-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]-λ5-phosphane
CID 158473253
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
2-[4-[1-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]cyclohexyl]phenyl]-4-phenyl-6-(10-phenylanthracen-9-yl)-1,3,5-triazine
CID 176628287
9-methyl-10-(4-phenylphenyl)anthracene
CID 58820618
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
2-[4-[2-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 176628441
9,10-diphenylanthracene;ethane;prop-1-ene
CID 90840257
18-[4-(10-dimethylphosphorylanthracen-9-yl)phenyl]-9,14-diphenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaene
CID 166584580
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
CID 143321579
CID 143321579
9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109

Frequently Asked Questions

What is the IUPAC name of 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene?
The IUPAC name of 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene (CID 145317230) is 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene.
What is the SMILES notation for 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene?
The canonical SMILES for 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene is CP(C)(=O)c1c2ccccc2c(-c2ccc(-c3ccccc3)cc2)c2ccccc12.
What is the InChIKey of 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene?
The InChIKey is UIVONVBSOLNASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23OP/c1-30(2,29)28-25-14-8-6-12-23(25)27(24-13-7-9-15-26(24)28)22-18-16-21(17-19-22)20-10-4-3-5-11-20/h3-19H,1-2H3.
What are the key properties of 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene?
9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene has a molecular weight of 406.47 g/mol, XLogP of 7.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dimethylphosphoryl-10-(4-phenylphenyl)anthracene is sourced from PubChem (CID 145317230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).