N,N-dibenzyl-1,1,1-triphenylmethanamine

C33H29N — CID 39354133

IUPACN,N-dibenzyl-1,1,1-triphenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H29N/c1-6-16-28(17-7-1)26-34(27-29-18-8-2-9-19-29)33(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25H,26-27H2
InChIKeyBCPCSIZKWPCUMC-UHFFFAOYSA-N
MW439.60 g/mol
LogP7.68
Rot. Bonds8

About N,N-dibenzyl-1,1,1-triphenylmethanamine

N,N-dibenzyl-1,1,1-triphenylmethanamine (PubChem CID 39354133) has the molecular formula C33H29N and a molecular weight of 439.60 g/mol. Its IUPAC name is N,N-dibenzyl-1,1,1-triphenylmethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-1,1,1-triphenylmethanamine
PubChem CID39354133
Molecular FormulaC33H29N
Molecular Weight439.60 g/mol
Exact Mass439.23
IUPAC NameN,N-dibenzyl-1,1,1-triphenylmethanamine
SMILESc1ccc(CN(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C33H29N/c1-6-16-28(17-7-1)26-34(27-29-18-8-2-9-19-29)33(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25H,26-27H2
InChIKeyBCPCSIZKWPCUMC-UHFFFAOYSA-N
XLogP7.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-1,1,1-triphenylmethanamine?
The IUPAC name of N,N-dibenzyl-1,1,1-triphenylmethanamine (CID 39354133) is N,N-dibenzyl-1,1,1-triphenylmethanamine.
What is the SMILES notation for N,N-dibenzyl-1,1,1-triphenylmethanamine?
The canonical SMILES for N,N-dibenzyl-1,1,1-triphenylmethanamine is c1ccc(CN(Cc2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-dibenzyl-1,1,1-triphenylmethanamine?
The InChIKey is BCPCSIZKWPCUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N/c1-6-16-28(17-7-1)26-34(27-29-18-8-2-9-19-29)33(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32/h1-25H,26-27H2.
What are the key properties of N,N-dibenzyl-1,1,1-triphenylmethanamine?
N,N-dibenzyl-1,1,1-triphenylmethanamine has a molecular weight of 439.60 g/mol, XLogP of 7.68, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-1,1,1-triphenylmethanamine is sourced from PubChem (CID 39354133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).