CID 139124493

C27H37GeN2+ — CID 139124493

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1[GeH]
InChIInChI=1S/C27H37GeN2/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20,28H,1-8H3/q+1
InChIKeyZEGMJPQHCGJNNF-UHFFFAOYSA-N
MW462.22 g/mol
LogP5.77
Rot. Bonds6

About CID 139124493

CID 139124493 (PubChem CID 139124493) has the molecular formula C27H37GeN2+ and a molecular weight of 462.22 g/mol.

Molecular Properties

Compound NameCID 139124493
PubChem CID139124493
Molecular FormulaC27H37GeN2+
Molecular Weight462.22 g/mol
Exact Mass463.22
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1[GeH]
InChIInChI=1S/C27H37GeN2/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20,28H,1-8H3/q+1
InChIKeyZEGMJPQHCGJNNF-UHFFFAOYSA-N
XLogP5.77
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.22
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carbothioate
CID 56931456
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-nitroboranuide
CID 139114892
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-2-ylidene]phosphanylphosphane
CID 132850209
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-(sulfidomethylidyneazaniumyl)boranuide
CID 139114890
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-tetrafluorosilanuide;toluene
CID 139102233
[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-methylsilylidene]silanide
CID 139124673
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-[(4-methylphenyl)methyl]imidazol-1-ium iodide
CID 46189433
CID 139142727
CID 139142727
2-[(1S)-1,2-bis(4-methylphenyl)ethyl]-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium bromide
CID 139191294
1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-carboxylate;3,6-dimethyl-1,4-dioxane-2,5-dione
CID 159630899
trans-dimethyl (2S,3S)-1-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-boranuidacyclopropane-2,3-dicarboxylate
CID 139124990
2-[(E)-4,4-dimethylpent-2-en-2-yl]-1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium;methane;iodide
CID 46187112

Frequently Asked Questions

What is the IUPAC name of CID 139124493?
The IUPAC name of CID 139124493 (CID 139124493) is not available.
What is the SMILES notation for CID 139124493?
The canonical SMILES for CID 139124493 is CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1[GeH].
What is the InChIKey of CID 139124493?
The InChIKey is ZEGMJPQHCGJNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37GeN2/c1-17(2)21-11-9-12-22(18(3)4)25(21)29-15-16-30(27(29)28)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20,28H,1-8H3/q+1.
What are the key properties of CID 139124493?
CID 139124493 has a molecular weight of 462.22 g/mol, XLogP of 5.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139124493 is sourced from PubChem (CID 139124493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).