6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene

C34H32N3O6P3 — CID 118465505

IUPAC6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene
SMILESCC1N=P2(Oc3ccccc3)C(N=P(O)(Oc3ccccc3)N=P1(Oc1ccccc1)Oc1ccccc1)C2Oc1ccccc1
InChIInChI=1S/C34H32N3O6P3/c1-27-35-44(40-29-19-9-3-10-20-29)33(34(44)39-28-17-7-2-8-18-28)36-46(38,43-32-25-15-6-16-26-32)37-45(27,41-30-21-11-4-12-22-30)42-31-23-13-5-14-24-31/h2-27,33-34,38H,1H3
InChIKeyRBDBOPXSPKIOIA-UHFFFAOYSA-N
MW671.57 g/mol
LogP10.49
Rot. Bonds10

About 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene

6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene (PubChem CID 118465505) has the molecular formula C34H32N3O6P3 and a molecular weight of 671.57 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene.

Molecular Properties

Compound Name6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene
PubChem CID118465505
Molecular FormulaC34H32N3O6P3
Molecular Weight671.57 g/mol
Exact Mass671.15
IUPAC Name6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene
SMILESCC1N=P2(Oc3ccccc3)C(N=P(O)(Oc3ccccc3)N=P1(Oc1ccccc1)Oc1ccccc1)C2Oc1ccccc1
InChIInChI=1S/C34H32N3O6P3/c1-27-35-44(40-29-19-9-3-10-20-29)33(34(44)39-28-17-7-2-8-18-28)36-46(38,43-32-25-15-6-16-26-32)37-45(27,41-30-21-11-4-12-22-30)42-31-23-13-5-14-24-31/h2-27,33-34,38H,1H3
InChIKeyRBDBOPXSPKIOIA-UHFFFAOYSA-N
XLogP10.49
TPSA103.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.57
LogP ≤ 510.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene?
The IUPAC name of 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene (CID 118465505) is 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene.
What is the SMILES notation for 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene?
The canonical SMILES for 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene is CC1N=P2(Oc3ccccc3)C(N=P(O)(Oc3ccccc3)N=P1(Oc1ccccc1)Oc1ccccc1)C2Oc1ccccc1.
What is the InChIKey of 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene?
The InChIKey is RBDBOPXSPKIOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N3O6P3/c1-27-35-44(40-29-19-9-3-10-20-29)33(34(44)39-28-17-7-2-8-18-28)36-46(38,43-32-25-15-6-16-26-32)37-45(27,41-30-21-11-4-12-22-30)42-31-23-13-5-14-24-31/h2-27,33-34,38H,1H3.
What are the key properties of 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene?
6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene has a molecular weight of 671.57 g/mol, XLogP of 10.49, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-1,4,4,6,9-pentaphenoxy-2,5,7-triaza-1λ5,4λ5,6λ5-triphosphabicyclo[6.1.0]nona-1,4,6-triene is sourced from PubChem (CID 118465505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).