10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

C41H34NO3P — CID 146018639

IUPAC10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC(C)P1(=O)C2(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C1(c1ccccc1)C1C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C41H34NO3P/c1-28(2)46(45)40(31-22-12-5-13-23-31)34(29-18-8-3-9-19-29)35(30-20-10-4-11-21-30)41(46,32-24-14-6-15-25-32)37-36(40)38(43)42(39(37)44)33-26-16-7-17-27-33/h3-28,36-37H,1-2H3
InChIKeyUYDUURQZCBVJIX-UHFFFAOYSA-N
MW619.70 g/mol
LogP8.99
Rot. Bonds6

About 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione

10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (PubChem CID 146018639) has the molecular formula C41H34NO3P and a molecular weight of 619.70 g/mol. Its IUPAC name is 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.

Molecular Properties

Compound Name10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
PubChem CID146018639
Molecular FormulaC41H34NO3P
Molecular Weight619.70 g/mol
Exact Mass619.23
IUPAC Name10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
SMILESCC(C)P1(=O)C2(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C1(c1ccccc1)C1C(=O)N(c3ccccc3)C(=O)C12
InChIInChI=1S/C41H34NO3P/c1-28(2)46(45)40(31-22-12-5-13-23-31)34(29-18-8-3-9-19-29)35(30-20-10-4-11-21-30)41(46,32-24-14-6-15-25-32)37-36(40)38(43)42(39(37)44)33-26-16-7-17-27-33/h3-28,36-37H,1-2H3
InChIKeyUYDUURQZCBVJIX-UHFFFAOYSA-N
XLogP8.99
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.70
LogP ≤ 58.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The IUPAC name of 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione (CID 146018639) is 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
What is the SMILES notation for 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The canonical SMILES for 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is CC(C)P1(=O)C2(c3ccccc3)C(c3ccccc3)=C(c3ccccc3)C1(c1ccccc1)C1C(=O)N(c3ccccc3)C(=O)C12.
What is the InChIKey of 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
The InChIKey is UYDUURQZCBVJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H34NO3P/c1-28(2)46(45)40(31-22-12-5-13-23-31)34(29-18-8-3-9-19-29)35(30-20-10-4-11-21-30)41(46,32-24-14-6-15-25-32)37-36(40)38(43)42(39(37)44)33-26-16-7-17-27-33/h3-28,36-37H,1-2H3.
What are the key properties of 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione?
10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione has a molecular weight of 619.70 g/mol, XLogP of 8.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxo-1,4,7,8,9-pentakis-phenyl-10-propan-2-yl-4-aza-10λ5-phosphatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione is sourced from PubChem (CID 146018639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).