2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione

C34H35BrNO2P — CID 142458602

IUPAC2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35BrNO2P/c35-39(28-18-8-5-9-19-28,29-20-10-6-11-21-29,30-22-12-7-13-23-30)27-17-4-2-1-3-16-26-36-33(37)31-24-14-15-25-32(31)34(36)38/h5-15,18-25H,1-4,16-17,26-27H2
InChIKeyTVSORIXHOOMYMK-UHFFFAOYSA-N
MW600.54 g/mol
LogP7.46
Rot. Bonds12

About 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione

2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione (PubChem CID 142458602) has the molecular formula C34H35BrNO2P and a molecular weight of 600.54 g/mol. Its IUPAC name is 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione
PubChem CID142458602
Molecular FormulaC34H35BrNO2P
Molecular Weight600.54 g/mol
Exact Mass599.16
IUPAC Name2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H35BrNO2P/c35-39(28-18-8-5-9-19-28,29-20-10-6-11-21-29,30-22-12-7-13-23-30)27-17-4-2-1-3-16-26-36-33(37)31-24-14-15-25-32(31)34(36)38/h5-15,18-25H,1-4,16-17,26-27H2
InChIKeyTVSORIXHOOMYMK-UHFFFAOYSA-N
XLogP7.46
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.54
LogP ≤ 57.46
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(7-bromoheptyl)isoindole-1,3-dione;2-(8-bromooctyl)isoindole-1,3-dione
CID 19698937
CID 88976080
CID 88976080
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
2-(8-bromooctyl)isoindole-1,3-dione;isoindole-1,3-dione
CID 67624782
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-[6-[6-(1,3-dioxoisoindol-2-yl)hexyldisulfanyl]hexyl]isoindole-1,3-dione
CID 15499684
[3-(1,3-dioxoisoindol-2-yl)propyl-triphenyl-λ5-phosphanyl] octadecanoate
CID 139630303
tetrakis[4-(1,3-dioxoisoindol-2-yl)butyl]azanium
CID 10056713
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
2-(6-methoxyhexyl)isoindole-1,3-dione
CID 14947433

Frequently Asked Questions

What is the IUPAC name of 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione?
The IUPAC name of 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione (CID 142458602) is 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione?
The canonical SMILES for 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione?
The InChIKey is TVSORIXHOOMYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35BrNO2P/c35-39(28-18-8-5-9-19-28,29-20-10-6-11-21-29,30-22-12-7-13-23-30)27-17-4-2-1-3-16-26-36-33(37)31-24-14-15-25-32(31)34(36)38/h5-15,18-25H,1-4,16-17,26-27H2.
What are the key properties of 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione?
2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione has a molecular weight of 600.54 g/mol, XLogP of 7.46, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[bromo(triphenyl)-λ5-phosphanyl]octyl]isoindole-1,3-dione is sourced from PubChem (CID 142458602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).