cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)

C38H74CeN7Si4 — CID 139189585

IUPACcerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)
SMILESCC(C)/N=C(/[N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.CC(C)N=C([N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.[Ce+3].c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/2C13H32N3Si2.C12H10N.Ce/c2*1-11(2)14-13(15-12(3)4)16(17(5,6)7)18(8,9)10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2*11-12H,1-10H3;1-10H;/q3*-1;+3
InChIKeyCIAXMNSPCMHMSR-UHFFFAOYSA-N
MW881.52 g/mol
LogP13.03
Rot. Bonds10

About cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)

cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) (PubChem CID 139189585) has the molecular formula C38H74CeN7Si4 and a molecular weight of 881.52 g/mol. Its IUPAC name is cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide).

Molecular Properties

Compound Namecerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)
PubChem CID139189585
Molecular FormulaC38H74CeN7Si4
Molecular Weight881.52 g/mol
Exact Mass880.41
IUPAC Namecerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)
SMILESCC(C)/N=C(/[N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.CC(C)N=C([N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.[Ce+3].c1ccc([N-]c2ccccc2)cc1
InChIInChI=1S/2C13H32N3Si2.C12H10N.Ce/c2*1-11(2)14-13(15-12(3)4)16(17(5,6)7)18(8,9)10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2*11-12H,1-10H3;1-10H;/q3*-1;+3
InChIKeyCIAXMNSPCMHMSR-UHFFFAOYSA-N
XLogP13.03
TPSA73.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.52
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) 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

cerium(3+);phenyl(propan-2-yl)azanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)
CID 139189587
N,N'-diphenyl-N-trimethylsilylmethanimidamide
CID 12471753
dibutyl-[(dibutylamino)-(N-phenylanilino)methylidene]azanium
CID 17849771
[diethylamino-(N-phenylanilino)methylidene]-diethylazanium
CID 17849795
[(dipropylamino)-(N-phenylanilino)methylidene]-dipropylazanium
CID 17849797
N,N'-bis[4-(dimethylamino)phenyl]-N-trimethylsilylmethanimidamide
CID 162499338
1,1-Diphenyl-2,3,3-tri(propan-2-yl)guanidine
CID 16067017
2-[N'-[3-(dimethylamino)propyl]-N,N-diphenylcarbamimidoyl]-1,1,3,3-tetramethylguanidine
CID 102226778
1,2-Diphenyl-1-(trimethylsilylmethyl)guanidine
CID 102238229

Frequently Asked Questions

What is the IUPAC name of cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The IUPAC name of cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) (CID 139189585) is cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide).
What is the SMILES notation for cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The canonical SMILES for cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) is CC(C)/N=C(/[N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.CC(C)N=C([N-]C(C)C)N([Si](C)(C)C)[Si](C)(C)C.[Ce+3].c1ccc([N-]c2ccccc2)cc1.
What is the InChIKey of cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
The InChIKey is CIAXMNSPCMHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H32N3Si2.C12H10N.Ce/c2*1-11(2)14-13(15-12(3)4)16(17(5,6)7)18(8,9)10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2*11-12H,1-10H3;1-10H;/q3*-1;+3.
What are the key properties of cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide)?
cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) has a molecular weight of 881.52 g/mol, XLogP of 13.03, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cerium(3+);diphenylazanide;bis(propan-2-yl-[N'-propan-2-yl-N,N-bis(trimethylsilyl)carbamimidoyl]azanide) is sourced from PubChem (CID 139189585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).