N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline

C66H57N3 — CID 18716633

IUPACN,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline
SMILESc1ccc(CN(Cc2ccccc2)c2cccc(-c3cc(-c4cccc(N(Cc5ccccc5)Cc5ccccc5)c4)cc(-c4cccc(N(Cc5ccccc5)Cc5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C66H57N3/c1-7-22-52(23-8-1)46-67(47-53-24-9-2-10-25-53)64-37-19-34-58(43-64)61-40-62(59-35-20-38-65(44-59)68(48-54-26-11-3-12-27-54)49-55-28-13-4-14-29-55)42-63(41-61)60-36-21-39-66(45-60)69(50-56-30-15-5-16-31-56)51-57-32-17-6-18-33-57/h1-45H,46-51H2
InChIKeyQVVSQAPZQSIJSU-UHFFFAOYSA-N
MW892.20 g/mol
LogP16.31
Rot. Bonds18

About N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline

N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline (PubChem CID 18716633) has the molecular formula C66H57N3 and a molecular weight of 892.20 g/mol. Its IUPAC name is N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline.

Molecular Properties

Compound NameN,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline
PubChem CID18716633
Molecular FormulaC66H57N3
Molecular Weight892.20 g/mol
Exact Mass891.46
IUPAC NameN,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline
SMILESc1ccc(CN(Cc2ccccc2)c2cccc(-c3cc(-c4cccc(N(Cc5ccccc5)Cc5ccccc5)c4)cc(-c4cccc(N(Cc5ccccc5)Cc5ccccc5)c4)c3)c2)cc1
InChIInChI=1S/C66H57N3/c1-7-22-52(23-8-1)46-67(47-53-24-9-2-10-25-53)64-37-19-34-58(43-64)61-40-62(59-35-20-38-65(44-59)68(48-54-26-11-3-12-27-54)49-55-28-13-4-14-29-55)42-63(41-61)60-36-21-39-66(45-60)69(50-56-30-15-5-16-31-56)51-57-32-17-6-18-33-57/h1-45H,46-51H2
InChIKeyQVVSQAPZQSIJSU-UHFFFAOYSA-N
XLogP16.31
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.20
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dibenzylaniline
CID 139071697
N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
CID 134262974
N-phenyl-3-(3-phenylphenyl)-N-[3-(3-phenylphenyl)phenyl]aniline
CID 166591076
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
N-benzyl-N-(iodomethyl)-3-methylaniline
CID 88987786
N,N-dibenzyl-3-chloro-4-[2-chloro-4-(dibenzylamino)phenyl]aniline
CID 71724240
3-[3-(bromomethyl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 155327608
N-fluoro-N,3-diphenylaniline
CID 174616067
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
N,N-dibenzyl-3-(5-piperidin-4-yl-1,2,4-oxadiazol-3-yl)aniline
CID 58295833

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline?
The IUPAC name of N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline (CID 18716633) is N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline.
What is the SMILES notation for N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline?
The canonical SMILES for N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline is c1ccc(CN(Cc2ccccc2)c2cccc(-c3cc(-c4cccc(N(Cc5ccccc5)Cc5ccccc5)c4)cc(-c4cccc(N(Cc5ccccc5)Cc5ccccc5)c4)c3)c2)cc1.
What is the InChIKey of N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline?
The InChIKey is QVVSQAPZQSIJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H57N3/c1-7-22-52(23-8-1)46-67(47-53-24-9-2-10-25-53)64-37-19-34-58(43-64)61-40-62(59-35-20-38-65(44-59)68(48-54-26-11-3-12-27-54)49-55-28-13-4-14-29-55)42-63(41-61)60-36-21-39-66(45-60)69(50-56-30-15-5-16-31-56)51-57-32-17-6-18-33-57/h1-45H,46-51H2.
What are the key properties of N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline?
N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline has a molecular weight of 892.20 g/mol, XLogP of 16.31, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline is sourced from PubChem (CID 18716633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).