4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline

C32H35N5 — CID 118655354

IUPAC4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(/N=N/c2ccc(C=NN(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(C)c1
InChIInChI=1S/C32H35N5/c1-6-36(7-2)31-20-21-32(26(5)22-31)35-34-28-14-12-27(13-15-28)23-33-37(29-16-8-24(3)9-17-29)30-18-10-25(4)11-19-30/h8-23H,6-7H2,1-5H3/b33-23?,35-34+
InChIKeyRXKPEQNLNNXGQQ-VIALKSOWSA-N
MW489.67 g/mol
LogP9.05
Rot. Bonds9

About 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline

4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline (PubChem CID 118655354) has the molecular formula C32H35N5 and a molecular weight of 489.67 g/mol. Its IUPAC name is 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline.

Molecular Properties

Compound Name4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
PubChem CID118655354
Molecular FormulaC32H35N5
Molecular Weight489.67 g/mol
Exact Mass489.29
IUPAC Name4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
SMILESCCN(CC)c1ccc(/N=N/c2ccc(C=NN(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(C)c1
InChIInChI=1S/C32H35N5/c1-6-36(7-2)31-20-21-32(26(5)22-31)35-34-28-14-12-27(13-15-28)23-33-37(29-16-8-24(3)9-17-29)30-18-10-25(4)11-19-30/h8-23H,6-7H2,1-5H3/b33-23?,35-34+
InChIKeyRXKPEQNLNNXGQQ-VIALKSOWSA-N
XLogP9.05
TPSA43.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.67
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[[3-methyl-4-[[4-[[4-(oxiran-2-yl)phenyl]methylideneamino]phenyl]diazenyl]phenyl]diazenyl]aniline
CID 88919689
N,N-diethyl-4-[[4-[[4-[[4-(2-methoxyethoxy)phenyl]iminomethyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]aniline
CID 59348860
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
4-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
CID 59180987
N-benzyl-N-ethyl-3-methyl-4-[[1-[6-[4-[(Z)-[methyl(phenyl)hydrazinylidene]methyl]pyridin-1-ium-1-yl]hexyl]pyridin-1-ium-4-yl]diazenyl]aniline
CID 59000102
5-(diethylamino)-2-[[4-[4-[[4-(diethylamino)-2-hydroxyphenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]phenol
CID 137081566
[4-(diethylamino)-2-methylphenyl]iminoazanium
CID 4185821
4-(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065532
4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065635
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 70841410
sodium 3-[N-ethyl-3-methyl-4-[(4-phenyldiazenylphenyl)diazenyl]anilino]propane-1-sulfonate
CID 23688964
3-[2-[[4-(diethylamino)-2-methylphenyl]diazenyl]-6-methyl-1,3-benzothiazol-3-ium-3-yl]propanamide
CID 102058070

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline?
The IUPAC name of 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline (CID 118655354) is 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline.
What is the SMILES notation for 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline?
The canonical SMILES for 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline is CCN(CC)c1ccc(/N=N/c2ccc(C=NN(c3ccc(C)cc3)c3ccc(C)cc3)cc2)c(C)c1.
What is the InChIKey of 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline?
The InChIKey is RXKPEQNLNNXGQQ-VIALKSOWSA-N. The full InChI is InChI=1S/C32H35N5/c1-6-36(7-2)31-20-21-32(26(5)22-31)35-34-28-14-12-27(13-15-28)23-33-37(29-16-8-24(3)9-17-29)30-18-10-25(4)11-19-30/h8-23H,6-7H2,1-5H3/b33-23?,35-34+.
What are the key properties of 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline?
4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline has a molecular weight of 489.67 g/mol, XLogP of 9.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[bis(4-methylphenyl)hydrazinylidene]methyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline is sourced from PubChem (CID 118655354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).