2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine

C28H28Cl6N6P4 — CID 23417945

IUPAC2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine
SMILESClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(N(Cc2ccccc2)Cc2ccccc2)=NP(Cl)(N(Cc2ccccc2)Cc2ccccc2)=N1
InChIInChI=1S/C28H28Cl6N6P4/c29-41(30)35-42(31,32)37-44(34,40(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28)38-43(33,36-41)39(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26/h1-20H,21-24H2
InChIKeyHTAALZVUKCXGEQ-UHFFFAOYSA-N
MW785.19 g/mol
LogP14.62
Rot. Bonds10

About 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine

2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine (PubChem CID 23417945) has the molecular formula C28H28Cl6N6P4 and a molecular weight of 785.19 g/mol. Its IUPAC name is 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine
PubChem CID23417945
Molecular FormulaC28H28Cl6N6P4
Molecular Weight785.19 g/mol
Exact Mass781.95
IUPAC Name2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine
SMILESClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(N(Cc2ccccc2)Cc2ccccc2)=NP(Cl)(N(Cc2ccccc2)Cc2ccccc2)=N1
InChIInChI=1S/C28H28Cl6N6P4/c29-41(30)35-42(31,32)37-44(34,40(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28)38-43(33,36-41)39(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26/h1-20H,21-24H2
InChIKeyHTAALZVUKCXGEQ-UHFFFAOYSA-N
XLogP14.62
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.19
LogP ≤ 514.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine 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

N,N-dibenzyl-2,4,4-trichloro-7,11-dioxa-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphaspiro[5.5]undeca-1,3,5-trien-2-amine
CID 101420044
N-benzyl-N-methanidyl-1-phenylmethanamine
CID 20756684
1-phenyl-N,N-bis(trimethylsilyl)methanamine
CID 616728
N-benzyl-1-phenyl-N-silylmethanamine
CID 173404902
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
benzyl(chloro)carbamic acid
CID 54007228
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
N,N-dimethyl-1-phenylmethanamine;hydrobromide
CID 71398520
N,N-dimethyl-1-phenylmethanamine;phosphane
CID 174524909
N,N-dibenzylaniline
CID 139071697
N-benzyl-1-phenyl-N-phosphanylmethanamine;dihydrochloride
CID 175096714

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine (CID 23417945) is 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine is ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(N(Cc2ccccc2)Cc2ccccc2)=NP(Cl)(N(Cc2ccccc2)Cc2ccccc2)=N1.
What is the InChIKey of 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine?
The InChIKey is HTAALZVUKCXGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl6N6P4/c29-41(30)35-42(31,32)37-44(34,40(23-27-17-9-3-10-18-27)24-28-19-11-4-12-20-28)38-43(33,36-41)39(21-25-13-5-1-6-14-25)22-26-15-7-2-8-16-26/h1-20H,21-24H2.
What are the key properties of 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine?
2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine has a molecular weight of 785.19 g/mol, XLogP of 14.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N,4-N-tetrabenzyl-2,4,6,6,8,8-hexachloro-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene-2,4-diamine is sourced from PubChem (CID 23417945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).