CID 139142727

C34H45Cl3GeN3 — CID 139142727

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1[NH-].Cc1ccccc1.Cl[Ge](Cl)Cl
InChIInChI=1S/C27H37N3.C7H8.Cl3Ge/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;1-7-5-3-2-4-6-7;1-4(2)3/h9-20,28H,1-8H3;2-6H,1H3;
InChIKeyDJJBKDCVTOGAGP-UHFFFAOYSA-N
MW674.72 g/mol
LogP11.61
Rot. Bonds6

About CID 139142727

CID 139142727 (PubChem CID 139142727) has the molecular formula C34H45Cl3GeN3 and a molecular weight of 674.72 g/mol.

Molecular Properties

Compound NameCID 139142727
PubChem CID139142727
Molecular FormulaC34H45Cl3GeN3
Molecular Weight674.72 g/mol
Exact Mass674.19
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1[NH-].Cc1ccccc1.Cl[Ge](Cl)Cl
InChIInChI=1S/C27H37N3.C7H8.Cl3Ge/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;1-7-5-3-2-4-6-7;1-4(2)3/h9-20,28H,1-8H3;2-6H,1H3;
InChIKeyDJJBKDCVTOGAGP-UHFFFAOYSA-N
XLogP11.61
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.72
LogP ≤ 511.61
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-yl]-tetrafluorosilanuide;toluene
CID 139102233
CID 139124493
CID 139124493
1,3-bis[2,6-di(propan-2-yl)phenyl]-2-[(4-methylphenyl)methyl]imidazol-1-ium iodide
CID 46189433
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-carbothioate
CID 56931456
[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]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-methylsilylidene]silanide
CID 139124673
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
[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-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)imidazol-3-ium
CID 58240311
1-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-N-[2,6-di(propan-2-yl)phenyl]methanimine perchlorate
CID 139232834

Frequently Asked Questions

What is the IUPAC name of CID 139142727?
The IUPAC name of CID 139142727 (CID 139142727) is not available.
What is the SMILES notation for CID 139142727?
The canonical SMILES for CID 139142727 is CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1[NH-].Cc1ccccc1.Cl[Ge](Cl)Cl.
What is the InChIKey of CID 139142727?
The InChIKey is DJJBKDCVTOGAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3.C7H8.Cl3Ge/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;1-7-5-3-2-4-6-7;1-4(2)3/h9-20,28H,1-8H3;2-6H,1H3;.
What are the key properties of CID 139142727?
CID 139142727 has a molecular weight of 674.72 g/mol, XLogP of 11.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139142727 is sourced from PubChem (CID 139142727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).