2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide

C29H25OP — CID 132600992

IUPAC2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide
SMILESCc1cc(C)cc(CC2=C(c3ccccc3)c3ccccc3P2(=O)c2ccccc2)c1
InChIInChI=1S/C29H25OP/c1-21-17-22(2)19-23(18-21)20-28-29(24-11-5-3-6-12-24)26-15-9-10-16-27(26)31(28,30)25-13-7-4-8-14-25/h3-19H,20H2,1-2H3
InChIKeyBWHLOWYLUVKGCS-UHFFFAOYSA-N
MW420.49 g/mol
LogP6.63
Rot. Bonds4

About 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide

2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide (PubChem CID 132600992) has the molecular formula C29H25OP and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide
PubChem CID132600992
Molecular FormulaC29H25OP
Molecular Weight420.49 g/mol
Exact Mass420.16
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide
SMILESCc1cc(C)cc(CC2=C(c3ccccc3)c3ccccc3P2(=O)c2ccccc2)c1
InChIInChI=1S/C29H25OP/c1-21-17-22(2)19-23(18-21)20-28-29(24-11-5-3-6-12-24)26-15-9-10-16-27(26)31(28,30)25-13-7-4-8-14-25/h3-19H,20H2,1-2H3
InChIKeyBWHLOWYLUVKGCS-UHFFFAOYSA-N
XLogP6.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(1-oxo-1,3-diphenylphosphindol-2-yl)methyl]phenyl]ethanone
CID 132600999
3-methyl-1-phenyl-2-propylphosphindole 1-oxide
CID 134842657
4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline
CID 102499198
2,3,7,8-tetramethyl-5,10-diphenylphosphanthrene 5,10-dioxide
CID 102415355
2-bromo-5-phenylbenzo[b]phosphindole 5-oxide
CID 134327267
2,5-bis(3,5-dimethylphenyl)-3,4-diphenylcyclopenta-2,4-dien-1-one
CID 142347274
1-methyl-3-phenyl-5-[(3-phenylphenyl)methyl]benzene
CID 145321706
1-butyl-2,3-diphenylphosphindole 1-oxide
CID 177389296
6-(deuteriomethyl)-14-phenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1,3,5(13),7(12),8,10-hexaene 6,14-dioxide;tris(6,14-diphenyl-6λ5,14λ5-diphosphatetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene 6,14-dioxide);propane
CID 159985686
1,2,3-triphenylisophosphindole 2-oxide
CID 135051366
8-phenyl-19-aza-8λ5-phosphahexacyclo[13.12.0.02,7.09,14.016,21.022,27]heptacosa-1(15),2,4,6,9,11,13,16(21),17,19,22,24,26-tridecaene 8-oxide
CID 155451648
(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid
CID 155666222

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide (CID 132600992) is 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide is Cc1cc(C)cc(CC2=C(c3ccccc3)c3ccccc3P2(=O)c2ccccc2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide?
The InChIKey is BWHLOWYLUVKGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25OP/c1-21-17-22(2)19-23(18-21)20-28-29(24-11-5-3-6-12-24)26-15-9-10-16-27(26)31(28,30)25-13-7-4-8-14-25/h3-19H,20H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide?
2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide has a molecular weight of 420.49 g/mol, XLogP of 6.63, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide is sourced from PubChem (CID 132600992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).