bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium

C49H88N6P2 — CID 10930858

IUPACbis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium
SMILES[C-](=[N+]=NP(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)P(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C49H88N6P2/c1-9-25-42(26-10-1)52(43-27-11-2-12-28-43)56(53(44-29-13-3-14-30-44)45-31-15-4-16-32-45)41-50-51-57(54(46-33-17-5-18-34-46)47-35-19-6-20-36-47)55(48-37-21-7-22-38-48)49-39-23-8-24-40-49/h42-49H,1-40H2
InChIKeyADJPMFWGAOBQNN-UHFFFAOYSA-N
MW823.23 g/mol
LogP14.96
Rot. Bonds14

About bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium

bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium (PubChem CID 10930858) has the molecular formula C49H88N6P2 and a molecular weight of 823.23 g/mol. Its IUPAC name is bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium.

Molecular Properties

Compound Namebis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium
PubChem CID10930858
Molecular FormulaC49H88N6P2
Molecular Weight823.23 g/mol
Exact Mass822.65
IUPAC Namebis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium
SMILES[C-](=[N+]=NP(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)P(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C49H88N6P2/c1-9-25-42(26-10-1)52(43-27-11-2-12-28-43)56(53(44-29-13-3-14-30-44)45-31-15-4-16-32-45)41-50-51-57(54(46-33-17-5-18-34-46)47-35-19-6-20-36-47)55(48-37-21-7-22-38-48)49-39-23-8-24-40-49/h42-49H,1-40H2
InChIKeyADJPMFWGAOBQNN-UHFFFAOYSA-N
XLogP14.96
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500823.23
LogP ≤ 514.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-bis(dicyclopentylamino)phosphanyl-N-cyclopentylcyclopentanamine
CID 54150083
1-cycloheptyl-1,2,2-tricyclohexylhydrazine
CID 139397453
N,N-dicyclohexylcyclohexanamine
CID 175770337
N-cyclohexyl-N-[(dicyclohexylamino)-phenylphosphanyl]cyclohexanamine
CID 21317865
N,N-dicyclohexylnitrous amide
CID 13697
N-cyclobutyl-N-methylcyclohexanamine
CID 90984290
lithium N-prop-2-enyl-N-trimethylsilylcyclohexanamine
CID 10104779
cyclohexylmethylalumane;hydrochloride
CID 174362292
1-cyclohexyl-1-cyclopropylhydrazine
CID 22132585
N-cyclopropyl-N-methylcyclooctanamine
CID 67119180
cyclopentadecylmethylcyclopentadecane
CID 91804599
N-cyclopropyl-N-methylcyclohexanamine;hydrochloride
CID 67002847

Frequently Asked Questions

What is the IUPAC name of bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium?
The IUPAC name of bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium (CID 10930858) is bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium.
What is the SMILES notation for bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium?
The canonical SMILES for bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium is [C-](=[N+]=NP(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)P(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium?
The InChIKey is ADJPMFWGAOBQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H88N6P2/c1-9-25-42(26-10-1)52(43-27-11-2-12-28-43)56(53(44-29-13-3-14-30-44)45-31-15-4-16-32-45)41-50-51-57(54(46-33-17-5-18-34-46)47-35-19-6-20-36-47)55(48-37-21-7-22-38-48)49-39-23-8-24-40-49/h42-49H,1-40H2.
What are the key properties of bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium?
bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium has a molecular weight of 823.23 g/mol, XLogP of 14.96, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dicyclohexylamino)phosphanylimino-[bis(dicyclohexylamino)phosphanylmethylidene]azanium is sourced from PubChem (CID 10930858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).