1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine

C34H32N2 — CID 3827232

IUPAC1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine
SMILESc1ccc(CN(Cc2ccccc2)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C34H32N2/c1-5-13-29(14-6-1)25-35(26-30-15-7-2-8-16-30)33-21-23-34(24-22-33)36(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-24H,25-28H2
InChIKeyVPTNBOIEKNYSFL-UHFFFAOYSA-N
MW468.64 g/mol
LogP8.10
Rot. Bonds10

About 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine

1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine (PubChem CID 3827232) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine
PubChem CID3827232
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC Name1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine
SMILESc1ccc(CN(Cc2ccccc2)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C34H32N2/c1-5-13-29(14-6-1)25-35(26-30-15-7-2-8-16-30)33-21-23-34(24-22-33)36(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-24H,25-28H2
InChIKeyVPTNBOIEKNYSFL-UHFFFAOYSA-N
XLogP8.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine?
The IUPAC name of 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine (CID 3827232) is 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine?
The canonical SMILES for 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine is c1ccc(CN(Cc2ccccc2)c2ccc(N(Cc3ccccc3)Cc3ccccc3)cc2)cc1.
What is the InChIKey of 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine?
The InChIKey is VPTNBOIEKNYSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1-5-13-29(14-6-1)25-35(26-30-15-7-2-8-16-30)33-21-23-34(24-22-33)36(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-24H,25-28H2.
What are the key properties of 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine?
1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine has a molecular weight of 468.64 g/mol, XLogP of 8.10, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-N,4-N-tetrabenzylbenzene-1,4-diamine is sourced from PubChem (CID 3827232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).