2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide

C41H33OPS — CID 132545388

IUPAC2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide
SMILESCCCCCc1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c2c1P(=O)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C41H33OPS/c1-2-3-6-17-30-27-34(29-24-25-38-35(26-29)32-20-12-14-23-37(32)44-38)39(28-15-7-4-8-16-28)40-33-21-11-13-22-36(33)43(42,41(30)40)31-18-9-5-10-19-31/h4-5,7-16,18-27H,2-3,6,17H2,1H3
InChIKeyUOMJDCFIGCWTPM-UHFFFAOYSA-N
MW604.76 g/mol
LogP10.74
Rot. Bonds7

About 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide

2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide (PubChem CID 132545388) has the molecular formula C41H33OPS and a molecular weight of 604.76 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide
PubChem CID132545388
Molecular FormulaC41H33OPS
Molecular Weight604.76 g/mol
Exact Mass604.20
IUPAC Name2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide
SMILESCCCCCc1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c2c1P(=O)(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C41H33OPS/c1-2-3-6-17-30-27-34(29-24-25-38-35(26-29)32-20-12-14-23-37(32)44-38)39(28-15-7-4-8-16-28)40-33-21-11-13-22-36(33)43(42,41(30)40)31-18-9-5-10-19-31/h4-5,7-16,18-27H,2-3,6,17H2,1H3
InChIKeyUOMJDCFIGCWTPM-UHFFFAOYSA-N
XLogP10.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.76
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-heptadecyl-1,3-diphenylphosphindole 1-oxide
CID 164676848
2-[3,5-di(dibenzothiophen-2-yl)-4-phenylphenyl]benzonitrile
CID 156567011
2,4-di(dibenzothiophen-2-yl)-3,6-diphenylbenzonitrile
CID 146353990
2,8-bis(2-phenylphenyl)dibenzothiophene
CID 58971386
13-dibenzothiophen-2-yl-11,14-diphenyl-12-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 122524500
2-(7-dibenzothiophen-2-yl-9,10-diphenylanthracen-2-yl)dibenzothiophene
CID 59745938
2-[3-(5-hexylthiophen-2-yl)-2-benzothiophen-1-yl]dibenzothiophene
CID 102035811
2-(2-nitrophenyl)dibenzothiophene
CID 66585334
6-nonyl-3,4-diphenylphthalaldehyde
CID 87274441
N-(2-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 167326162
2-[10-[3-(10-dibenzothiophen-2-ylanthracen-9-yl)phenyl]anthracen-9-yl]dibenzothiophene
CID 153438373
2,5-di(dibenzothiophen-2-yl)benzene-1,4-diol
CID 169075776

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide?
The IUPAC name of 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide (CID 132545388) is 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide is CCCCCc1cc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)c2c1P(=O)(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide?
The InChIKey is UOMJDCFIGCWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33OPS/c1-2-3-6-17-30-27-34(29-24-25-38-35(26-29)32-20-12-14-23-37(32)44-38)39(28-15-7-4-8-16-28)40-33-21-11-13-22-36(33)43(42,41(30)40)31-18-9-5-10-19-31/h4-5,7-16,18-27H,2-3,6,17H2,1H3.
What are the key properties of 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide?
2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide has a molecular weight of 604.76 g/mol, XLogP of 10.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-pentyl-1,5-diphenylbenzo[b]phosphindole 5-oxide is sourced from PubChem (CID 132545388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).