1,1,1-triphenyl-N-tritylmethanamine

C38H31N — CID 11170044

IUPAC1,1,1-triphenyl-N-tritylmethanamine
SMILESc1ccc(C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H31N/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)39-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,39H
InChIKeyVPJXVQUCQPWEDO-UHFFFAOYSA-N
MW501.67 g/mol
LogP8.56
Rot. Bonds8

About 1,1,1-triphenyl-N-tritylmethanamine

1,1,1-triphenyl-N-tritylmethanamine (PubChem CID 11170044) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is 1,1,1-triphenyl-N-tritylmethanamine.

Molecular Properties

Compound Name1,1,1-triphenyl-N-tritylmethanamine
PubChem CID11170044
Molecular FormulaC38H31N
Molecular Weight501.67 g/mol
Exact Mass501.25
IUPAC Name1,1,1-triphenyl-N-tritylmethanamine
SMILESc1ccc(C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H31N/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)39-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,39H
InChIKeyVPJXVQUCQPWEDO-UHFFFAOYSA-N
XLogP8.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 58.56
H-Bond Donors ≤ 51
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 1,1,1-triphenyl-N-tritylmethanamine?
The IUPAC name of 1,1,1-triphenyl-N-tritylmethanamine (CID 11170044) is 1,1,1-triphenyl-N-tritylmethanamine.
What is the SMILES notation for 1,1,1-triphenyl-N-tritylmethanamine?
The canonical SMILES for 1,1,1-triphenyl-N-tritylmethanamine is c1ccc(C(NC(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,1,1-triphenyl-N-tritylmethanamine?
The InChIKey is VPJXVQUCQPWEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)39-38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30,39H.
What are the key properties of 1,1,1-triphenyl-N-tritylmethanamine?
1,1,1-triphenyl-N-tritylmethanamine has a molecular weight of 501.67 g/mol, XLogP of 8.56, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-triphenyl-N-tritylmethanamine is sourced from PubChem (CID 11170044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).