CID 139104050

C26H38Ge2N4 — CID 139104050

IUPAC—
SMILESCC(C)(C)CN1[Ge]N(CCCCN2[Ge]N(CC(C)(C)C)c3ccccc32)c2ccccc21
InChIInChI=1S/C26H38Ge2N4/c1-25(2,3)19-31-23-15-9-7-13-21(23)29(27-31)17-11-12-18-30-22-14-8-10-16-24(22)32(28-30)20-26(4,5)6/h7-10,13-16H,11-12,17-20H2,1-6H3
InChIKeyNVEXAICXIMQHJO-UHFFFAOYSA-N
MW551.84 g/mol
LogP5.58
Rot. Bonds7

About CID 139104050

CID 139104050 (PubChem CID 139104050) has the molecular formula C26H38Ge2N4 and a molecular weight of 551.84 g/mol.

Molecular Properties

Compound NameCID 139104050
PubChem CID139104050
Molecular FormulaC26H38Ge2N4
Molecular Weight551.84 g/mol
Exact Mass554.15
IUPAC Name—
SMILESCC(C)(C)CN1[Ge]N(CCCCN2[Ge]N(CC(C)(C)C)c3ccccc32)c2ccccc21
InChIInChI=1S/C26H38Ge2N4/c1-25(2,3)19-31-23-15-9-7-13-21(23)29(27-31)17-11-12-18-30-22-14-8-10-16-24(22)32(28-30)20-26(4,5)6/h7-10,13-16H,11-12,17-20H2,1-6H3
InChIKeyNVEXAICXIMQHJO-UHFFFAOYSA-N
XLogP5.58
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.84
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1,1'-(1,2-Phenylene)bis(pyrrolidine)
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1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole
CID 15889258
3,21-Bis(2,2-dimethylpropyl)-12,12-dimethyl-3,10,14,21-tetrazapentacyclo[12.7.0.02,10.04,9.015,20]henicosa-1,4,6,8,15,17,19-heptaene
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Bis(1-isopropyl-3-methyl-benzimidazol-2-ylidene)methane
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Frequently Asked Questions

What is the IUPAC name of CID 139104050?
The IUPAC name of CID 139104050 (CID 139104050) is not available.
What is the SMILES notation for CID 139104050?
The canonical SMILES for CID 139104050 is CC(C)(C)CN1[Ge]N(CCCCN2[Ge]N(CC(C)(C)C)c3ccccc32)c2ccccc21.
What is the InChIKey of CID 139104050?
The InChIKey is NVEXAICXIMQHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38Ge2N4/c1-25(2,3)19-31-23-15-9-7-13-21(23)29(27-31)17-11-12-18-30-22-14-8-10-16-24(22)32(28-30)20-26(4,5)6/h7-10,13-16H,11-12,17-20H2,1-6H3.
What are the key properties of CID 139104050?
CID 139104050 has a molecular weight of 551.84 g/mol, XLogP of 5.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139104050 is sourced from PubChem (CID 139104050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).