2-heptadecyl-1,3-diphenylphosphindole 1-oxide

C37H49OP — CID 164676848

IUPAC2-heptadecyl-1,3-diphenylphosphindole 1-oxide
SMILESCCCCCCCCCCCCCCCCCC1=C(c2ccccc2)c2ccccc2P1(=O)c1ccccc1
InChIInChI=1S/C37H49OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-36-37(32-25-18-16-19-26-32)34-29-23-24-30-35(34)39(36,38)33-27-20-17-21-28-33/h16-21,23-30H,2-15,22,31H2,1H3
InChIKeyIGYUFYIOHDRMPH-UHFFFAOYSA-N
MW540.77 g/mol
LogP11.03
Rot. Bonds18

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

2-heptadecyl-1,3-diphenylphosphindole 1-oxide (PubChem CID 164676848) has the molecular formula C37H49OP and a molecular weight of 540.77 g/mol. Its IUPAC name is 2-heptadecyl-1,3-diphenylphosphindole 1-oxide.

Molecular Properties

Compound Name2-heptadecyl-1,3-diphenylphosphindole 1-oxide
PubChem CID164676848
Molecular FormulaC37H49OP
Molecular Weight540.77 g/mol
Exact Mass540.35
IUPAC Name2-heptadecyl-1,3-diphenylphosphindole 1-oxide
SMILESCCCCCCCCCCCCCCCCCC1=C(c2ccccc2)c2ccccc2P1(=O)c1ccccc1
InChIInChI=1S/C37H49OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-36-37(32-25-18-16-19-26-32)34-29-23-24-30-35(34)39(36,38)33-27-20-17-21-28-33/h16-21,23-30H,2-15,22,31H2,1H3
InChIKeyIGYUFYIOHDRMPH-UHFFFAOYSA-N
XLogP11.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.77
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2,3-diphenylphosphindole 1-oxide
CID 177389296
1,1'-biphenyl;hexadecane
CID 173308514
2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide
CID 132545388
5-octylbenzo[b]phosphindole 5-oxide
CID 68843154
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
4-octyl-5-phenyl-2,9,10-trioxa-1λ5-phosphatricyclo[5.2.1.03,8]deca-3,5,7-triene 1-oxide
CID 154591744
1-hexyl-4-(2-phenylphenyl)benzene;sulfane
CID 158588704
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
gold;1-pentyl-2-phenylbenzene
CID 174945702
2-octylazulene
CID 101406191
1-pentadecyl-4-phenylbenzene
CID 57166115
2-pentyl-1-phenyl-3-phosphorosobenzene
CID 90032928

Frequently Asked Questions

What is the IUPAC name of 2-heptadecyl-1,3-diphenylphosphindole 1-oxide?
The IUPAC name of 2-heptadecyl-1,3-diphenylphosphindole 1-oxide (CID 164676848) is 2-heptadecyl-1,3-diphenylphosphindole 1-oxide.
What is the SMILES notation for 2-heptadecyl-1,3-diphenylphosphindole 1-oxide?
The canonical SMILES for 2-heptadecyl-1,3-diphenylphosphindole 1-oxide is CCCCCCCCCCCCCCCCCC1=C(c2ccccc2)c2ccccc2P1(=O)c1ccccc1.
What is the InChIKey of 2-heptadecyl-1,3-diphenylphosphindole 1-oxide?
The InChIKey is IGYUFYIOHDRMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H49OP/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-36-37(32-25-18-16-19-26-32)34-29-23-24-30-35(34)39(36,38)33-27-20-17-21-28-33/h16-21,23-30H,2-15,22,31H2,1H3.
What are the key properties of 2-heptadecyl-1,3-diphenylphosphindole 1-oxide?
2-heptadecyl-1,3-diphenylphosphindole 1-oxide has a molecular weight of 540.77 g/mol, XLogP of 11.03, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptadecyl-1,3-diphenylphosphindole 1-oxide is sourced from PubChem (CID 164676848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).