1-butyl-2,3-diphenylphosphindole 1-oxide

C24H23OP — CID 177389296

IUPAC1-butyl-2,3-diphenylphosphindole 1-oxide
SMILESCCCCP1(=O)C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23OP/c1-2-3-18-26(25)22-17-11-10-16-21(22)23(19-12-6-4-7-13-19)24(26)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3
InChIKeyKBNPFWUVSNIYGY-UHFFFAOYSA-N
MW358.42 g/mol
LogP6.41
Rot. Bonds5

About 1-butyl-2,3-diphenylphosphindole 1-oxide

1-butyl-2,3-diphenylphosphindole 1-oxide (PubChem CID 177389296) has the molecular formula C24H23OP and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-butyl-2,3-diphenylphosphindole 1-oxide.

Molecular Properties

Compound Name1-butyl-2,3-diphenylphosphindole 1-oxide
PubChem CID177389296
Molecular FormulaC24H23OP
Molecular Weight358.42 g/mol
Exact Mass358.15
IUPAC Name1-butyl-2,3-diphenylphosphindole 1-oxide
SMILESCCCCP1(=O)C(c2ccccc2)=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23OP/c1-2-3-18-26(25)22-17-11-10-16-21(22)23(19-12-6-4-7-13-19)24(26)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3
InChIKeyKBNPFWUVSNIYGY-UHFFFAOYSA-N
XLogP6.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.42
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-octylbenzo[b]phosphindole 5-oxide
CID 68843154
2-heptadecyl-1,3-diphenylphosphindole 1-oxide
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(4R)-3-amino-4-butyl-2-phenylcyclobut-2-en-1-one
CID 76764195
1,1'-biphenyl;hexadecane
CID 173308514
4-[1,2-bis[4-(methylamino)phenyl]-1-oxophosphindol-3-yl]-N-methylaniline
CID 102499198
hexane;3-phenylbenzene-1,2-diamine
CID 175068745
2-[(3,5-dimethylphenyl)methyl]-1,3-diphenylphosphindole 1-oxide
CID 132600992
1-ethoxy-3,7-dimethyl-4-phenyl-2,1λ5-benzoxaphosphinine 1-oxide
CID 118537026
gold;1-pentyl-2-phenylbenzene
CID 174945702
heptanoic acid;2-phenylaniline
CID 174910764
1,1'-biphenyl;1-bromobutane
CID 174623341
2-amino-2-[(2-phenylphenyl)methyl]heptanoic acid
CID 174600110

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-diphenylphosphindole 1-oxide?
The IUPAC name of 1-butyl-2,3-diphenylphosphindole 1-oxide (CID 177389296) is 1-butyl-2,3-diphenylphosphindole 1-oxide.
What is the SMILES notation for 1-butyl-2,3-diphenylphosphindole 1-oxide?
The canonical SMILES for 1-butyl-2,3-diphenylphosphindole 1-oxide is CCCCP1(=O)C(c2ccccc2)=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-butyl-2,3-diphenylphosphindole 1-oxide?
The InChIKey is KBNPFWUVSNIYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23OP/c1-2-3-18-26(25)22-17-11-10-16-21(22)23(19-12-6-4-7-13-19)24(26)20-14-8-5-9-15-20/h4-17H,2-3,18H2,1H3.
What are the key properties of 1-butyl-2,3-diphenylphosphindole 1-oxide?
1-butyl-2,3-diphenylphosphindole 1-oxide has a molecular weight of 358.42 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-diphenylphosphindole 1-oxide is sourced from PubChem (CID 177389296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).