4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine

C32H30N4 — CID 129240505

IUPAC4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine
SMILESNc1ccc(N(Cc2cccc(CN(c3ccccc3)c3ccc(N)cc3)c2)c2ccccc2)cc1
InChIInChI=1S/C32H30N4/c33-27-14-18-31(19-15-27)35(29-10-3-1-4-11-29)23-25-8-7-9-26(22-25)24-36(30-12-5-2-6-13-30)32-20-16-28(34)17-21-32/h1-22H,23-24,33-34H2
InChIKeyZJGIUFAKIPKIIO-UHFFFAOYSA-N
MW470.62 g/mol
LogP7.53
Rot. Bonds8

About 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine

4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine (PubChem CID 129240505) has the molecular formula C32H30N4 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine
PubChem CID129240505
Molecular FormulaC32H30N4
Molecular Weight470.62 g/mol
Exact Mass470.25
IUPAC Name4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine
SMILESNc1ccc(N(Cc2cccc(CN(c3ccccc3)c3ccc(N)cc3)c2)c2ccccc2)cc1
InChIInChI=1S/C32H30N4/c33-27-14-18-31(19-15-27)35(29-10-3-1-4-11-29)23-25-8-7-9-26(22-25)24-36(30-12-5-2-6-13-30)32-20-16-28(34)17-21-32/h1-22H,23-24,33-34H2
InChIKeyZJGIUFAKIPKIIO-UHFFFAOYSA-N
XLogP7.53
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 57.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-chloro-N-phenylaniline
CID 13283792
benzene-1,4-diamine;4-N,4-N-diphenylbenzene-1,4-diamine
CID 67959062
3-(N-benzyl-3-hydroxyanilino)phenol
CID 86210696
(4-aminophenyl)-benzylcarbamic acid
CID 69046621
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
CID 149144793
N,N-diphenyl-4-[4-[4-[(N-phenylanilino)methyl]phenyl]phenyl]aniline
CID 155085132
4-[[N-[(4-aminophenyl)methyl]anilino]methyl]aniline;ethane
CID 90899245
aniline;N-benzyl-N-methylaniline
CID 163577424
1-(4-aminophenyl)-1-benzylurea
CID 154248103
4-(N-benzyl-4-formylanilino)benzaldehyde
CID 18955916
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146

Frequently Asked Questions

What is the IUPAC name of 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine?
The IUPAC name of 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine (CID 129240505) is 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine?
The canonical SMILES for 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine is Nc1ccc(N(Cc2cccc(CN(c3ccccc3)c3ccc(N)cc3)c2)c2ccccc2)cc1.
What is the InChIKey of 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine?
The InChIKey is ZJGIUFAKIPKIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4/c33-27-14-18-31(19-15-27)35(29-10-3-1-4-11-29)23-25-8-7-9-26(22-25)24-36(30-12-5-2-6-13-30)32-20-16-28(34)17-21-32/h1-22H,23-24,33-34H2.
What are the key properties of 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine?
4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine has a molecular weight of 470.62 g/mol, XLogP of 7.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[3-[(N-(4-aminophenyl)anilino)methyl]phenyl]methyl]-4-N-phenylbenzene-1,4-diamine is sourced from PubChem (CID 129240505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).