2,9,10-tris(3-dimethylphosphorylphenyl)anthracene

C38H37O3P3 — CID 142477663

IUPAC2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
SMILESCP(C)(=O)c1cccc(-c2ccc3c(-c4cccc(P(C)(C)=O)c4)c4ccccc4c(-c4cccc(P(C)(C)=O)c4)c3c2)c1
InChIInChI=1S/C38H37O3P3/c1-42(2,39)30-15-9-12-26(22-30)27-20-21-35-36(25-27)38(29-14-11-17-32(24-29)44(5,6)41)34-19-8-7-18-33(34)37(35)28-13-10-16-31(23-28)43(3,4)40/h7-25H,1-6H3
InChIKeySLNPWOLDCKBOLZ-UHFFFAOYSA-N
MW634.63 g/mol
LogP9.74
Rot. Bonds6

About 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene

2,9,10-tris(3-dimethylphosphorylphenyl)anthracene (PubChem CID 142477663) has the molecular formula C38H37O3P3 and a molecular weight of 634.63 g/mol. Its IUPAC name is 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene.

Molecular Properties

Compound Name2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
PubChem CID142477663
Molecular FormulaC38H37O3P3
Molecular Weight634.63 g/mol
Exact Mass634.20
IUPAC Name2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
SMILESCP(C)(=O)c1cccc(-c2ccc3c(-c4cccc(P(C)(C)=O)c4)c4ccccc4c(-c4cccc(P(C)(C)=O)c4)c3c2)c1
InChIInChI=1S/C38H37O3P3/c1-42(2,39)30-15-9-12-26(22-30)27-20-21-35-36(25-27)38(29-14-11-17-32(24-29)44(5,6)41)34-19-8-7-18-33(34)37(35)28-13-10-16-31(23-28)43(3,4)40/h7-25H,1-6H3
InChIKeySLNPWOLDCKBOLZ-UHFFFAOYSA-N
XLogP9.74
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.63
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
9-[4-(3-dimethylphosphorylphenyl)phenyl]anthracene
CID 129164109
[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
4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran
CID 129164010
9,10-bis(3,5-diphenylphenyl)-2-phenylanthracene
CID 59342681
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
9-[4-(3-dimethylphosphorylphenyl)naphthalen-1-yl]phenanthrene
CID 140947012
9-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 59398961
9-(4-dimethylphosphorylphenyl)-10-(3,5-dinaphthalen-2-ylphenyl)anthracene
CID 140947009
2-[3-[3-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]phenyl]phenyl]-6,8-diphenyl-[1,2,4]triazolo[1,5-a]pyridine
CID 167109598
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
9-(4-phenylphenyl)-10-[3-[3-phenyl-5-(3-phenylphenyl)phenyl]phenyl]anthracene
CID 155648463

Frequently Asked Questions

What is the IUPAC name of 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene?
The IUPAC name of 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene (CID 142477663) is 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene.
What is the SMILES notation for 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene?
The canonical SMILES for 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene is CP(C)(=O)c1cccc(-c2ccc3c(-c4cccc(P(C)(C)=O)c4)c4ccccc4c(-c4cccc(P(C)(C)=O)c4)c3c2)c1.
What is the InChIKey of 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene?
The InChIKey is SLNPWOLDCKBOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H37O3P3/c1-42(2,39)30-15-9-12-26(22-30)27-20-21-35-36(25-27)38(29-14-11-17-32(24-29)44(5,6)41)34-19-8-7-18-33(34)37(35)28-13-10-16-31(23-28)43(3,4)40/h7-25H,1-6H3.
What are the key properties of 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene?
2,9,10-tris(3-dimethylphosphorylphenyl)anthracene has a molecular weight of 634.63 g/mol, XLogP of 9.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9,10-tris(3-dimethylphosphorylphenyl)anthracene is sourced from PubChem (CID 142477663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).