4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran

C34H25O2P — CID 129164010

IUPAC4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran
SMILESCP(C)(=O)c1cccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1
InChIInChI=1S/C34H25O2P/c1-37(2,35)23-12-9-11-22(21-23)32-25-14-3-5-16-27(25)33(28-17-6-4-15-26(28)32)30-19-10-18-29-24-13-7-8-20-31(24)36-34(29)30/h3-21H,1-2H3
InChIKeyNJGMBSXNZPXLMH-UHFFFAOYSA-N
MW496.55 g/mol
LogP9.47
Rot. Bonds3

About 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran

4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 129164010) has the molecular formula C34H25O2P and a molecular weight of 496.55 g/mol. Its IUPAC name is 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran.

Molecular Properties

Compound Name4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran
PubChem CID129164010
Molecular FormulaC34H25O2P
Molecular Weight496.55 g/mol
Exact Mass496.16
IUPAC Name4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran
SMILESCP(C)(=O)c1cccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1
InChIInChI=1S/C34H25O2P/c1-37(2,35)23-12-9-11-22(21-23)32-25-14-3-5-16-27(25)33(28-17-6-4-15-26(28)32)30-19-10-18-29-24-13-7-8-20-31(24)36-34(29)30/h3-21H,1-2H3
InChIKeyNJGMBSXNZPXLMH-UHFFFAOYSA-N
XLogP9.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.55
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(10-dibenzofuran-4-ylanthracen-9-yl)dibenzofuran
CID 58991746
4-[3-[10-(2-methylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 143811472
2,9,10-tris(3-dimethylphosphorylphenyl)anthracene
CID 142477663
4-[10-(9,9'-spirobi[fluorene]-2-yl)anthracen-9-yl]dibenzofuran
CID 164758516
4-[3-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536066
4-[8-dibenzofuran-4-yl-10-(3-phenylphenyl)anthracen-1-yl]dibenzofuran
CID 155333147
7-(10-dibenzofuran-4-ylanthracen-9-yl)-16-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaene
CID 153314459
8-[10-(2,6-diphenylphenyl)anthracen-9-yl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaene
CID 171447445
4-[6-dibenzofuran-4-yl-9,10-bis(4-methylphenyl)anthracen-2-yl]dibenzofuran
CID 58991809
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[2-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[2-[10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran;4-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 165104271
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794

Frequently Asked Questions

What is the IUPAC name of 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran?
The IUPAC name of 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran (CID 129164010) is 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran.
What is the SMILES notation for 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran?
The canonical SMILES for 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran is CP(C)(=O)c1cccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)c1.
What is the InChIKey of 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran?
The InChIKey is NJGMBSXNZPXLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25O2P/c1-37(2,35)23-12-9-11-22(21-23)32-25-14-3-5-16-27(25)33(28-17-6-4-15-26(28)32)30-19-10-18-29-24-13-7-8-20-31(24)36-34(29)30/h3-21H,1-2H3.
What are the key properties of 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran?
4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran has a molecular weight of 496.55 g/mol, XLogP of 9.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(3-dimethylphosphorylphenyl)anthracen-9-yl]dibenzofuran is sourced from PubChem (CID 129164010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).