N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline

C43H33N — CID 134262974

IUPACN-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
SMILESc1ccc(CN(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C43H33N/c1-6-16-33(17-7-1)32-44(42-28-38(34-18-8-2-9-19-34)26-39(29-42)35-20-10-3-11-21-35)43-30-40(36-22-12-4-13-23-36)27-41(31-43)37-24-14-5-15-25-37/h1-31H,32H2
InChIKeyGLTHSHWLHQPKRY-UHFFFAOYSA-N
MW563.74 g/mol
LogP11.69
Rot. Bonds8

About N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline

N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline (PubChem CID 134262974) has the molecular formula C43H33N and a molecular weight of 563.74 g/mol. Its IUPAC name is N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline.

Molecular Properties

Compound NameN-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
PubChem CID134262974
Molecular FormulaC43H33N
Molecular Weight563.74 g/mol
Exact Mass563.26
IUPAC NameN-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline
SMILESc1ccc(CN(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/C43H33N/c1-6-16-33(17-7-1)32-44(42-28-38(34-18-8-2-9-19-34)26-39(29-42)35-20-10-3-11-21-35)43-30-40(36-22-12-4-13-23-36)27-41(31-43)37-24-14-5-15-25-37/h1-31H,32H2
InChIKeyGLTHSHWLHQPKRY-UHFFFAOYSA-N
XLogP11.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.74
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dibenzyl-3-[3,5-bis[3-(dibenzylamino)phenyl]phenyl]aniline
CID 18716633
3-(N-benzyl-3-hydroxyanilino)phenol
CID 86210696
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
N-benzyl-3-chloro-N-phenylaniline
CID 13283792
N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
N-benzyl-N-(14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-yl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaen-4-amine
CID 134271740
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
ethane;1,3,5-triphenylbenzene
CID 142123051
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
N-[4-[4-[4-(N-(3,5-diphenylphenyl)anilino)phenyl]phenyl]phenyl]-N,3,5-triphenylaniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N,3,5-triphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159721159

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline?
The IUPAC name of N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline (CID 134262974) is N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline.
What is the SMILES notation for N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline?
The canonical SMILES for N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline is c1ccc(CN(c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline?
The InChIKey is GLTHSHWLHQPKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H33N/c1-6-16-33(17-7-1)32-44(42-28-38(34-18-8-2-9-19-34)26-39(29-42)35-20-10-3-11-21-35)43-30-40(36-22-12-4-13-23-36)27-41(31-43)37-24-14-5-15-25-37/h1-31H,32H2.
What are the key properties of N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline?
N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline has a molecular weight of 563.74 g/mol, XLogP of 11.69, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3,5-diphenylphenyl)-3,5-diphenylaniline is sourced from PubChem (CID 134262974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).