4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine

C36H32N6 — CID 67826937

IUPAC4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine
SMILESNc1ccc(-c2ccc(N(c3ccc(N)cc3)c3ccc(N)cc3)c(-c3ccc(N)cc3)c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C36H32N6/c37-26-7-1-23(2-8-26)33-21-22-34(42(31-17-13-29(40)14-18-31)32-19-15-30(41)16-20-32)36(25-5-11-28(39)12-6-25)35(33)24-3-9-27(38)10-4-24/h1-22H,37-41H2
InChIKeyFAJGKWGXYYFCCZ-UHFFFAOYSA-N
MW548.69 g/mol
LogP8.07
Rot. Bonds6

About 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine

4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine (PubChem CID 67826937) has the molecular formula C36H32N6 and a molecular weight of 548.69 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine
PubChem CID67826937
Molecular FormulaC36H32N6
Molecular Weight548.69 g/mol
Exact Mass548.27
IUPAC Name4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine
SMILESNc1ccc(-c2ccc(N(c3ccc(N)cc3)c3ccc(N)cc3)c(-c3ccc(N)cc3)c2-c2ccc(N)cc2)cc1
InChIInChI=1S/C36H32N6/c37-26-7-1-23(2-8-26)33-21-22-34(42(31-17-13-29(40)14-18-31)32-19-15-30(41)16-20-32)36(25-5-11-28(39)12-6-25)35(33)24-3-9-27(38)10-4-24/h1-22H,37-41H2
InChIKeyFAJGKWGXYYFCCZ-UHFFFAOYSA-N
XLogP8.07
TPSA133.34 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 58.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-2,3,4-tripyridin-4-ylaniline
CID 175865200
N-[4-[4-(dinaphthalen-1-ylamino)-2,3-diphenylphenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 159269643
4-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-[4-(4-amino-N-(4-aminophenyl)anilino)-N-[4-(4-amino-N-(4-aminophenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]-4-N-(4-aminophenyl)benzene-1,4-diamine
CID 163509117
N,2,3-triphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254069
4-[4-(N-[4-(4-aminophenyl)phenyl]-4-phenylanilino)phenyl]aniline
CID 139760283
4-N-phenyl-4-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 18421146
4-[4-(N-[4-[4-(N-[4-(4-aminophenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 22944349
4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;bis(4-methylaniline)
CID 142830870
9,9-dimethyl-1,5-diphenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 170529416
N-[5-amino-2-(4-aminophenyl)phenyl]-N-oxidohydroxylamine
CID 163176393
1,2-bis(4-phenylphenyl)-1-(2,3,4-triphenylphenyl)hydrazine
CID 70172162
4-(4-aminophenyl)aniline;N,N-diphenylaniline
CID 67789837

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine?
The IUPAC name of 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine (CID 67826937) is 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine is Nc1ccc(-c2ccc(N(c3ccc(N)cc3)c3ccc(N)cc3)c(-c3ccc(N)cc3)c2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine?
The InChIKey is FAJGKWGXYYFCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6/c37-26-7-1-23(2-8-26)33-21-22-34(42(31-17-13-29(40)14-18-31)32-19-15-30(41)16-20-32)36(25-5-11-28(39)12-6-25)35(33)24-3-9-27(38)10-4-24/h1-22H,37-41H2.
What are the key properties of 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine?
4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine has a molecular weight of 548.69 g/mol, XLogP of 8.07, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)-4-N-[2,3,4-tris(4-aminophenyl)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 67826937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).