4-[3,4-bis(4-aminophenyl)phenyl]aniline

C24H21N3 — CID 101079504

IUPAC4-[3,4-bis(4-aminophenyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C24H21N3/c25-20-8-1-16(2-9-20)19-7-14-23(17-3-10-21(26)11-4-17)24(15-19)18-5-12-22(27)13-6-18/h1-15H,25-27H2
InChIKeyYUYQYNFEKJYTHE-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.43
Rot. Bonds3

About 4-[3,4-bis(4-aminophenyl)phenyl]aniline

4-[3,4-bis(4-aminophenyl)phenyl]aniline (PubChem CID 101079504) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[3,4-bis(4-aminophenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[3,4-bis(4-aminophenyl)phenyl]aniline
PubChem CID101079504
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name4-[3,4-bis(4-aminophenyl)phenyl]aniline
SMILESNc1ccc(-c2ccc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C24H21N3/c25-20-8-1-16(2-9-20)19-7-14-23(17-3-10-21(26)11-4-17)24(15-19)18-5-12-22(27)13-6-18/h1-15H,25-27H2
InChIKeyYUYQYNFEKJYTHE-UHFFFAOYSA-N
XLogP5.43
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-aminophenyl)phenyl]-3-(3-phenylphenyl)aniline
CID 150238905
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
4-[4-(2-phenylphenyl)phenyl]aniline
CID 167431375
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
4-(4-aminophenyl)-3-(4-ethenylphenyl)aniline
CID 139434275
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589
benzene-1,4-diamine;5-(1,3-dioxo-2-benzofuran-5-yl)-2-benzofuran-1,3-dione
CID 159673650
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
acetylene;4-(4-aminophenyl)aniline
CID 18766839

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(4-aminophenyl)phenyl]aniline?
The IUPAC name of 4-[3,4-bis(4-aminophenyl)phenyl]aniline (CID 101079504) is 4-[3,4-bis(4-aminophenyl)phenyl]aniline.
What is the SMILES notation for 4-[3,4-bis(4-aminophenyl)phenyl]aniline?
The canonical SMILES for 4-[3,4-bis(4-aminophenyl)phenyl]aniline is Nc1ccc(-c2ccc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-[3,4-bis(4-aminophenyl)phenyl]aniline?
The InChIKey is YUYQYNFEKJYTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c25-20-8-1-16(2-9-20)19-7-14-23(17-3-10-21(26)11-4-17)24(15-19)18-5-12-22(27)13-6-18/h1-15H,25-27H2.
What are the key properties of 4-[3,4-bis(4-aminophenyl)phenyl]aniline?
4-[3,4-bis(4-aminophenyl)phenyl]aniline has a molecular weight of 351.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(4-aminophenyl)phenyl]aniline is sourced from PubChem (CID 101079504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).