N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline

C38H31N — CID 134309993

IUPACN,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline
SMILESCN(C)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H31N/c1-39(2)38-36(31-24-14-6-15-25-31)34(29-20-10-4-11-21-29)33(28-18-8-3-9-19-28)35(30-22-12-5-13-23-30)37(38)32-26-16-7-17-27-32/h3-27H,1-2H3
InChIKeyHFFGVLQZZJDINB-UHFFFAOYSA-N
MW501.67 g/mol
LogP10.09
Rot. Bonds6

About N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline

N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline (PubChem CID 134309993) has the molecular formula C38H31N and a molecular weight of 501.67 g/mol. Its IUPAC name is N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline.

Molecular Properties

Compound NameN,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline
PubChem CID134309993
Molecular FormulaC38H31N
Molecular Weight501.67 g/mol
Exact Mass501.25
IUPAC NameN,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline
SMILESCN(C)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C38H31N/c1-39(2)38-36(31-24-14-6-15-25-31)34(29-20-10-4-11-21-29)33(28-18-8-3-9-19-28)35(30-22-12-5-13-23-30)37(38)32-26-16-7-17-27-32/h3-27H,1-2H3
InChIKeyHFFGVLQZZJDINB-UHFFFAOYSA-N
XLogP10.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.67
LogP ≤ 510.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline?
The IUPAC name of N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline (CID 134309993) is N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline.
What is the SMILES notation for N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline?
The canonical SMILES for N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline is CN(C)c1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline?
The InChIKey is HFFGVLQZZJDINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N/c1-39(2)38-36(31-24-14-6-15-25-31)34(29-20-10-4-11-21-29)33(28-18-8-3-9-19-28)35(30-22-12-5-13-23-30)37(38)32-26-16-7-17-27-32/h3-27H,1-2H3.
What are the key properties of N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline?
N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline has a molecular weight of 501.67 g/mol, XLogP of 10.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3,4,5,6-pentakis-phenylaniline is sourced from PubChem (CID 134309993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).