tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium

C36H57NO2P+ — CID 70691702

IUPACtricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C36H57NO2P/c38-35-33-26-16-17-27-34(33)36(39)37(35)28-18-5-3-1-2-4-6-19-29-40(30-20-10-7-11-21-30,31-22-12-8-13-23-31)32-24-14-9-15-25-32/h16-17,26-27,30-32H,1-15,18-25,28-29H2/q+1
InChIKeyNSUVHFPHJDYAEY-UHFFFAOYSA-N
MW566.83 g/mol
LogP10.42
Rot. Bonds14

About tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium

tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium (PubChem CID 70691702) has the molecular formula C36H57NO2P+ and a molecular weight of 566.83 g/mol. Its IUPAC name is tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium.

Molecular Properties

Compound Nametricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium
PubChem CID70691702
Molecular FormulaC36H57NO2P+
Molecular Weight566.83 g/mol
Exact Mass566.41
IUPAC Nametricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium
SMILESO=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C36H57NO2P/c38-35-33-26-16-17-27-34(33)36(39)37(35)28-18-5-3-1-2-4-6-19-29-40(30-20-10-7-11-21-30,31-22-12-8-13-23-31)32-24-14-9-15-25-32/h16-17,26-27,30-32H,1-15,18-25,28-29H2/q+1
InChIKeyNSUVHFPHJDYAEY-UHFFFAOYSA-N
XLogP10.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.83
LogP ≤ 510.42
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'}

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Frequently Asked Questions

What is the IUPAC name of tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium?
The IUPAC name of tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium (CID 70691702) is tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium.
What is the SMILES notation for tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium?
The canonical SMILES for tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium is O=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium?
The InChIKey is NSUVHFPHJDYAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57NO2P/c38-35-33-26-16-17-27-34(33)36(39)37(35)28-18-5-3-1-2-4-6-19-29-40(30-20-10-7-11-21-30,31-22-12-8-13-23-31)32-24-14-9-15-25-32/h16-17,26-27,30-32H,1-15,18-25,28-29H2/q+1.
What are the key properties of tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium?
tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium has a molecular weight of 566.83 g/mol, XLogP of 10.42, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclohexyl-[10-(1,3-dioxoisoindol-2-yl)decyl]phosphanium is sourced from PubChem (CID 70691702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).