9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene

C28H23OP — CID 129164109

IUPAC9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
SMILESCP(C)(=O)c1cccc(-c2ccc(-c3c4ccccc4cc4ccccc34)cc2)c1
InChIInChI=1S/C28H23OP/c1-30(2,29)25-11-7-10-22(19-25)20-14-16-21(17-15-20)28-26-12-5-3-8-23(26)18-24-9-4-6-13-27(24)28/h3-19H,1-2H3
InChIKeyBGNPNYKPRKHAJR-UHFFFAOYSA-N
MW406.47 g/mol
LogP7.57
Rot. Bonds3

About 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene

9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene (PubChem CID 129164109) has the molecular formula C28H23OP and a molecular weight of 406.47 g/mol. Its IUPAC name is 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
PubChem CID129164109
Molecular FormulaC28H23OP
Molecular Weight406.47 g/mol
Exact Mass406.15
IUPAC Name9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
SMILESCP(C)(=O)c1cccc(-c2ccc(-c3c4ccccc4cc4ccccc34)cc2)c1
InChIInChI=1S/C28H23OP/c1-30(2,29)25-11-7-10-22(19-25)20-14-16-21(17-15-20)28-26-12-5-3-8-23(26)18-24-9-4-6-13-27(24)28/h3-19H,1-2H3
InChIKeyBGNPNYKPRKHAJR-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-[3-(4-diphenylphosphorylphenyl)-5-phenylphenyl]anthracene;9-[4-[3-(3-diphenylphosphorylphenyl)phenyl]phenyl]anthracene
CID 164967366
2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
CID 142477663
9-anthracen-9-yl-10-(4-diphenylphosphorylphenyl)anthracene
CID 122597792
[4-[3-(2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaen-13-yl)phenyl]phenyl]-dimethyl-methylidene-λ5-phosphane;13-(3-dimethylphosphorylphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 161177143
9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene
CID 140947012
9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
CID 140947009
3-[4-[4-[3-(3-dimethylphosphorylphenyl)-10-[4-(4-pyridin-3-ylnaphthalen-1-yl)phenyl]anthracen-9-yl]phenyl]naphthalen-1-yl]pyridine
CID 142477660
N-(4-anthracen-9-ylphenyl)-4-phenylaniline;ethane
CID 142283277
2-(4-anthracen-9-ylphenyl)triphenylene
CID 165006597
9-[3-dimethylphosphoryl-5-[2-methyl-3-[(Z)-prop-1-enyl]naphthalen-1-yl]phenyl]anthracene
CID 129164088
N-(4-anthracen-9-ylphenyl)-4-phenylaniline
CID 134240819
9-(3-anthracen-9-yl-5-diphenylphosphorylphenyl)anthracene;9-[3-[(3-anthracen-9-ylphenyl)-phenylphosphoryl]phenyl]anthracene;9-(3-diphenylphosphorylphenyl)anthracene;2-(3-diphenylphosphorylphenyl)-9,10-dinaphthalen-2-ylanthracene;9-(3-diphenylphosphorylphenyl)-10-(4-phenylphenyl)anthracene;1-[3-(3-diphenylphosphorylphenyl)-5-pyren-1-ylphenyl]pyrene
CID 157310352

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene?
The IUPAC name of 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene (CID 129164109) is 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene.
What is the SMILES notation for 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene?
The canonical SMILES for 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene is CP(C)(=O)c1cccc(-c2ccc(-c3c4ccccc4cc4ccccc34)cc2)c1.
What is the InChIKey of 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene?
The InChIKey is BGNPNYKPRKHAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23OP/c1-30(2,29)25-11-7-10-22(19-25)20-14-16-21(17-15-20)28-26-12-5-3-8-23(26)18-24-9-4-6-13-27(24)28/h3-19H,1-2H3.
What are the key properties of 9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene?
9-[4-(3-dimethylphosphorylphenyl)phenyl]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-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene is sourced from PubChem (CID 129164109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).