N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline

C32H28N2 — CID 159021817

IUPACN-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
SMILESc1ccc(Cc2ccc(Nc3ccc(Cc4ccc(Nc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H28N2/c1-3-7-25(8-4-1)23-26-11-19-31(20-12-26)34-32-21-15-28(16-22-32)24-27-13-17-30(18-14-27)33-29-9-5-2-6-10-29/h1-22,33-34H,23-24H2
InChIKeyGOOGVLMNECGSGY-UHFFFAOYSA-N
MW440.59 g/mol
LogP8.36
Rot. Bonds8

About N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline

N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline (PubChem CID 159021817) has the molecular formula C32H28N2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline.

Molecular Properties

Compound NameN-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
PubChem CID159021817
Molecular FormulaC32H28N2
Molecular Weight440.59 g/mol
Exact Mass440.23
IUPAC NameN-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline
SMILESc1ccc(Cc2ccc(Nc3ccc(Cc4ccc(Nc5ccccc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H28N2/c1-3-7-25(8-4-1)23-26-11-19-31(20-12-26)34-32-21-15-28(16-22-32)24-27-13-17-30(18-14-27)33-29-9-5-2-6-10-29/h1-22,33-34H,23-24H2
InChIKeyGOOGVLMNECGSGY-UHFFFAOYSA-N
XLogP8.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 58.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,4-N-bis(4-anilinophenyl)-6-N-(4-benzylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 159020840
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
4-N,4-N-diphenyl-1-N-[4-[[4-[4-[[4-(N-phenylanilino)phenyl]methyl]anilino]phenyl]methyl]phenyl]benzene-1,4-diamine
CID 162039964
N-[4-(4-anilinophenyl)-3-methylbutan-2-yl]-4-benzylaniline
CID 157120065
ethane;methanol;N-phenyl-4-(2-phenylethyl)aniline
CID 91580530
4-benzyl-N-(4-benzylphenyl)aniline;3,6-dibenzyl-9H-carbazole
CID 174951048
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
1,4-dibenzylbenzene;ethane
CID 91406396
azane;N-phenylaniline
CID 67074378
4-benzyl-N-propan-2-ylaniline
CID 22888879
1,4-bis(4-benzylphenyl)benzene
CID 58251041

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline?
The IUPAC name of N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline (CID 159021817) is N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline.
What is the SMILES notation for N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline?
The canonical SMILES for N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline is c1ccc(Cc2ccc(Nc3ccc(Cc4ccc(Nc5ccccc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline?
The InChIKey is GOOGVLMNECGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28N2/c1-3-7-25(8-4-1)23-26-11-19-31(20-12-26)34-32-21-15-28(16-22-32)24-27-13-17-30(18-14-27)33-29-9-5-2-6-10-29/h1-22,33-34H,23-24H2.
What are the key properties of N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline?
N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline has a molecular weight of 440.59 g/mol, XLogP of 8.36, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-anilinophenyl)methyl]phenyl]-4-benzylaniline is sourced from PubChem (CID 159021817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).