N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline

C40H34Cl2N2 — CID 71724240

IUPACN,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline
SMILESClc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1-c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C40H34Cl2N2/c41-39-25-35(43(27-31-13-5-1-6-14-31)28-32-15-7-2-8-16-32)21-23-37(39)38-24-22-36(26-40(38)42)44(29-33-17-9-3-10-18-33)30-34-19-11-4-12-20-34/h1-26H,27-30H2
InChIKeyOYYUVCHKDQXBKB-UHFFFAOYSA-N
MW613.63 g/mol
LogP11.07
Rot. Bonds11

About N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline

N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline (PubChem CID 71724240) has the molecular formula C40H34Cl2N2 and a molecular weight of 613.63 g/mol. Its IUPAC name is N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline.

Molecular Properties

Compound NameN,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline
PubChem CID71724240
Molecular FormulaC40H34Cl2N2
Molecular Weight613.63 g/mol
Exact Mass612.21
IUPAC NameN,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline
SMILESClc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1-c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Cl
InChIInChI=1S/C40H34Cl2N2/c41-39-25-35(43(27-31-13-5-1-6-14-31)28-32-15-7-2-8-16-32)21-23-37(39)38-24-22-36(26-40(38)42)44(29-33-17-9-3-10-18-33)30-34-19-11-4-12-20-34/h1-26H,27-30H2
InChIKeyOYYUVCHKDQXBKB-UHFFFAOYSA-N
XLogP11.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.63
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline?
The IUPAC name of N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline (CID 71724240) is N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline.
What is the SMILES notation for N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline?
The canonical SMILES for N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline is Clc1cc(N(Cc2ccccc2)Cc2ccccc2)ccc1-c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1Cl.
What is the InChIKey of N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline?
The InChIKey is OYYUVCHKDQXBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H34Cl2N2/c41-39-25-35(43(27-31-13-5-1-6-14-31)28-32-15-7-2-8-16-32)21-23-37(39)38-24-22-36(26-40(38)42)44(29-33-17-9-3-10-18-33)30-34-19-11-4-12-20-34/h1-26H,27-30H2.
What are the key properties of N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline?
N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline has a molecular weight of 613.63 g/mol, XLogP of 11.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline is sourced from PubChem (CID 71724240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).