1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine

C40H42N8 — CID 68993447

IUPAC1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine
SMILESCc1ccc(N(N)c2cc(-c3cc(N(N)c4ccc(C)cc4)cc(N(N)c4ccc(C)cc4)c3)cc(N(N)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C40H42N8/c1-27-5-13-33(14-6-27)45(41)37-21-31(22-38(25-37)46(42)34-15-7-28(2)8-16-34)32-23-39(47(43)35-17-9-29(3)10-18-35)26-40(24-32)48(44)36-19-11-30(4)12-20-36/h5-26H,41-44H2,1-4H3
InChIKeyPEOXBURYDOGHPD-UHFFFAOYSA-N
MW634.83 g/mol
LogP8.63
Rot. Bonds9

About 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine

1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine (PubChem CID 68993447) has the molecular formula C40H42N8 and a molecular weight of 634.83 g/mol. Its IUPAC name is 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine.

Molecular Properties

Compound Name1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine
PubChem CID68993447
Molecular FormulaC40H42N8
Molecular Weight634.83 g/mol
Exact Mass634.35
IUPAC Name1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine
SMILESCc1ccc(N(N)c2cc(-c3cc(N(N)c4ccc(C)cc4)cc(N(N)c4ccc(C)cc4)c3)cc(N(N)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C40H42N8/c1-27-5-13-33(14-6-27)45(41)37-21-31(22-38(25-37)46(42)34-15-7-28(2)8-16-34)32-23-39(47(43)35-17-9-29(3)10-18-35)26-40(24-32)48(44)36-19-11-30(4)12-20-36/h5-26H,41-44H2,1-4H3
InChIKeyPEOXBURYDOGHPD-UHFFFAOYSA-N
XLogP8.63
TPSA117.04 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.83
LogP ≤ 58.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylphenyl)-1-pyridin-4-ylhydrazine
CID 144676275
1-(4-methoxyphenyl)-1-(4-methylphenyl)hydrazine
CID 66898674
5-(4-methylphenyl)-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 121295814
cobalt;bis(1,4-xylene)
CID 67859603
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline;1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-(4-methylphenyl)phenyl]benzene-1,3,5-triamine
CID 161439793
1-bromo-1-(4-methylphenyl)hydrazine;hydrochloride
CID 140975606
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
N-[4-[3,5-bis[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-[3,5-bis[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 159992995
4,6-dimethyl-1-N,1-N,3-N,3-N-tetrakis[4-(4-methylphenyl)phenyl]benzene-1,3-diamine
CID 101478385
N,N-bis(4-methylphenyl)-3,5-bis(3-phenylphenyl)aniline
CID 170047291
5-[7-[3,5-bis(4-methyl-N-(4-methylphenyl)anilino)phenyl]-9,9-dimethylfluoren-2-yl]-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)benzene-1,3-diamine
CID 59510924

Frequently Asked Questions

What is the IUPAC name of 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine?
The IUPAC name of 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine (CID 68993447) is 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine.
What is the SMILES notation for 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine?
The canonical SMILES for 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine is Cc1ccc(N(N)c2cc(-c3cc(N(N)c4ccc(C)cc4)cc(N(N)c4ccc(C)cc4)c3)cc(N(N)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine?
The InChIKey is PEOXBURYDOGHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H42N8/c1-27-5-13-33(14-6-27)45(41)37-21-31(22-38(25-37)46(42)34-15-7-28(2)8-16-34)32-23-39(47(43)35-17-9-29(3)10-18-35)26-40(24-32)48(44)36-19-11-30(4)12-20-36/h5-26H,41-44H2,1-4H3.
What are the key properties of 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine?
1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine has a molecular weight of 634.83 g/mol, XLogP of 8.63, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(N-amino-4-methylanilino)-5-[3,5-bis(N-amino-4-methylanilino)phenyl]phenyl]-1-(4-methylphenyl)hydrazine is sourced from PubChem (CID 68993447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).