CID 139111491

C19H32Cl2N3Si — CID 139111491

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1C(N(C)C)=[N+](C(C)(C)C)[Si-]1(Cl)Cl
InChIInChI=1S/C19H32Cl2N3Si/c1-13(2)15-11-10-12-16(14(3)4)17(15)23-18(22(8)9)24(19(5,6)7)25(23,20)21/h10-14H,1-9H3
InChIKeyFUKPHVHWUDCFDS-UHFFFAOYSA-N
MW401.48 g/mol
LogP5.40
Rot. Bonds3

About CID 139111491

CID 139111491 (PubChem CID 139111491) has the molecular formula C19H32Cl2N3Si and a molecular weight of 401.48 g/mol.

Molecular Properties

Compound NameCID 139111491
PubChem CID139111491
Molecular FormulaC19H32Cl2N3Si
Molecular Weight401.48 g/mol
Exact Mass400.17
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1C(N(C)C)=[N+](C(C)(C)C)[Si-]1(Cl)Cl
InChIInChI=1S/C19H32Cl2N3Si/c1-13(2)15-11-10-12-16(14(3)4)17(15)23-18(22(8)9)24(19(5,6)7)25(23,20)21/h10-14H,1-9H3
InChIKeyFUKPHVHWUDCFDS-UHFFFAOYSA-N
XLogP5.40
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.48
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3,5-tris[2,6-di(propan-2-yl)phenyl]-2,4,6-trimethyl-1,3,5,2,4,6-triazatrialuminane
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2,4,6-trichloro-1,3,5-tris[2,6-di(propan-2-yl)phenyl]-1,3,5,2,4,6-triazatriphosphinane-2,4,6-triium
CID 101370288
1-tert-butyl-2,2,2-trichloro-3-[2,6-di(propan-2-yl)phenyl]-4-phenyl-3-aza-1-azonia-2-silanuidacyclobut-4-ene
CID 139111488
1,4,7-tris[2,6-di(propan-2-yl)phenyl]-1,4,7-triazonane
CID 20681040
CID 139249420
CID 139249420
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,4-disulfido-1,3,2,4-diazadiphosphetidine-2,4-diium
CID 122202965
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-triazole
CID 67468757
2-methyl-1-(2-propan-2-ylanilino)propan-2-ol
CID 39241882
2-ethenyl-N,N-dimethyl-3-propan-2-ylaniline
CID 166146948
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-1,2,4-triazole
CID 134965969
bis([1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]-chloronickel);dihydrate
CID 11297642
CID 71560960
CID 71560960

Frequently Asked Questions

What is the IUPAC name of CID 139111491?
The IUPAC name of CID 139111491 (CID 139111491) is not available.
What is the SMILES notation for CID 139111491?
The canonical SMILES for CID 139111491 is CC(C)c1cccc(C(C)C)c1N1C(N(C)C)=[N+](C(C)(C)C)[Si-]1(Cl)Cl.
What is the InChIKey of CID 139111491?
The InChIKey is FUKPHVHWUDCFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32Cl2N3Si/c1-13(2)15-11-10-12-16(14(3)4)17(15)23-18(22(8)9)24(19(5,6)7)25(23,20)21/h10-14H,1-9H3.
What are the key properties of CID 139111491?
CID 139111491 has a molecular weight of 401.48 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139111491 is sourced from PubChem (CID 139111491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).