1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine

C27H28N4 — CID 175759926

IUPAC1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine
SMILESCN(c1ccccc1)C(CNc1ccccc1)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C27H28N4/c1-31(26-20-12-5-13-21-26)27(29-24-16-8-3-9-17-24,30-25-18-10-4-11-19-25)22-28-23-14-6-2-7-15-23/h2-21,28-30H,22H2,1H3
InChIKeyVENSONFTMSXYAQ-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.11
Rot. Bonds9

About 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine

1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine (PubChem CID 175759926) has the molecular formula C27H28N4 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine.

Molecular Properties

Compound Name1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine
PubChem CID175759926
Molecular FormulaC27H28N4
Molecular Weight408.55 g/mol
Exact Mass408.23
IUPAC Name1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine
SMILESCN(c1ccccc1)C(CNc1ccccc1)(Nc1ccccc1)Nc1ccccc1
InChIInChI=1S/C27H28N4/c1-31(26-20-12-5-13-21-26)27(29-24-16-8-3-9-17-24,30-25-18-10-4-11-19-25)22-28-23-14-6-2-7-15-23/h2-21,28-30H,22H2,1H3
InChIKeyVENSONFTMSXYAQ-UHFFFAOYSA-N
XLogP6.11
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine?
The IUPAC name of 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine (CID 175759926) is 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine.
What is the SMILES notation for 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine?
The canonical SMILES for 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine is CN(c1ccccc1)C(CNc1ccccc1)(Nc1ccccc1)Nc1ccccc1.
What is the InChIKey of 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine?
The InChIKey is VENSONFTMSXYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4/c1-31(26-20-12-5-13-21-26)27(29-24-16-8-3-9-17-24,30-25-18-10-4-11-19-25)22-28-23-14-6-2-7-15-23/h2-21,28-30H,22H2,1H3.
What are the key properties of 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine?
1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine has a molecular weight of 408.55 g/mol, XLogP of 6.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N"-methyl-1-N,1-N',1-N",2-N-tetraphenylethane-1,1,1,2-tetramine is sourced from PubChem (CID 175759926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).