1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane

C42H56P4 — CID 134976395

IUPAC1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane
SMILESc1ccc(CP2CCCCP(Cc3ccccc3)CCCP(Cc3ccccc3)CCCCP(Cc3ccccc3)CCC2)cc1
InChIInChI=1S/C42H56P4/c1-5-19-39(20-6-1)35-43-27-13-14-28-45(37-41-23-9-3-10-24-41)33-18-34-46(38-42-25-11-4-12-26-42)30-16-15-29-44(32-17-31-43)36-40-21-7-2-8-22-40/h1-12,19-26H,13-18,27-38H2
InChIKeyWIZMAJLAWZTEPH-UHFFFAOYSA-N
MW684.81 g/mol
LogP13.07
Rot. Bonds8

About 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane

1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane (PubChem CID 134976395) has the molecular formula C42H56P4 and a molecular weight of 684.81 g/mol. Its IUPAC name is 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane.

Molecular Properties

Compound Name1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane
PubChem CID134976395
Molecular FormulaC42H56P4
Molecular Weight684.81 g/mol
Exact Mass684.33
IUPAC Name1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane
SMILESc1ccc(CP2CCCCP(Cc3ccccc3)CCCP(Cc3ccccc3)CCCCP(Cc3ccccc3)CCC2)cc1
InChIInChI=1S/C42H56P4/c1-5-19-39(20-6-1)35-43-27-13-14-28-45(37-41-23-9-3-10-24-41)33-18-34-46(38-42-25-11-4-12-26-42)30-16-15-29-44(32-17-31-43)36-40-21-7-2-8-22-40/h1-12,19-26H,13-18,27-38H2
InChIKeyWIZMAJLAWZTEPH-UHFFFAOYSA-N
XLogP13.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.81
LogP ≤ 513.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane with MolForge

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

Launch Full Analysis

Related Compounds

1-benzyl-2,5-dihydrophosphole
CID 23279889
3,7-dibenzyl-3,7-diphosphabicyclo[3.3.1]nonan-9-one
CID 140589600
1,3,5-tribenzyl-7-phenyl-1,5,3,7-diazadiphosphocane
CID 3070050
1,5,9,13-tetraphenyl-1,5,9,13-tetraphosphacyclohexadecane
CID 132567195
1,5-diphenyl-1,5-diphosphocane
CID 14738745
1-benzyl-4-phenyl-1,4-diphosphinine
CID 13441113
(2R)-2-benzyl-1-[2-[(2R)-2-benzylphospholan-1-yl]ethyl]phospholane
CID 58886856
1-ethyl-2-phenyldiphospholane
CID 156579193
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
cyclopentane;phenylmethanol;titanium
CID 23229026
dibenzyltin
CID 29345

Frequently Asked Questions

What is the IUPAC name of 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane?
The IUPAC name of 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane (CID 134976395) is 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane.
What is the SMILES notation for 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane?
The canonical SMILES for 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane is c1ccc(CP2CCCCP(Cc3ccccc3)CCCP(Cc3ccccc3)CCCCP(Cc3ccccc3)CCC2)cc1.
What is the InChIKey of 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane?
The InChIKey is WIZMAJLAWZTEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56P4/c1-5-19-39(20-6-1)35-43-27-13-14-28-45(37-41-23-9-3-10-24-41)33-18-34-46(38-42-25-11-4-12-26-42)30-16-15-29-44(32-17-31-43)36-40-21-7-2-8-22-40/h1-12,19-26H,13-18,27-38H2.
What are the key properties of 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane?
1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane has a molecular weight of 684.81 g/mol, XLogP of 13.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,10,14-tetrabenzyl-1,5,10,14-tetraphosphacyclooctadecane is sourced from PubChem (CID 134976395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).