N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline

C37H46N6 — CID 89273655

IUPACN-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline
SMILESCCCCN(C)c1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N(CCCC)CCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H46N6/c1-5-8-27-42(4)36-23-19-34(20-24-36)40-38-32-15-11-30(12-16-32)31-13-17-33(18-14-31)39-41-35-21-25-37(26-22-35)43(28-9-6-2)29-10-7-3/h11-26H,5-10,27-29H2,1-4H3/b40-38+,41-39+
InChIKeyZXUXLJYIMQGMAS-QYGUTFKISA-N
MW574.82 g/mol
LogP11.83
Rot. Bonds16

About N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline

N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline (PubChem CID 89273655) has the molecular formula C37H46N6 and a molecular weight of 574.82 g/mol. Its IUPAC name is N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline.

Molecular Properties

Compound NameN-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline
PubChem CID89273655
Molecular FormulaC37H46N6
Molecular Weight574.82 g/mol
Exact Mass574.38
IUPAC NameN-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline
SMILESCCCCN(C)c1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N(CCCC)CCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H46N6/c1-5-8-27-42(4)36-23-19-34(20-24-36)40-38-32-15-11-30(12-16-32)31-13-17-33(18-14-31)39-41-35-21-25-37(26-22-35)43(28-9-6-2)29-10-7-3/h11-26H,5-10,27-29H2,1-4H3/b40-38+,41-39+
InChIKeyZXUXLJYIMQGMAS-QYGUTFKISA-N
XLogP11.83
TPSA55.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.82
LogP ≤ 511.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
4-[(4-bromophenyl)diazenyl]-N-butyl-N-hexylaniline
CID 169054222
N,N-dibutyl-4-[(4-ethynylphenyl)diazenyl]aniline
CID 101460836
4-[[4-[(4-chlorophenyl)diazenyl]phenyl]diazenyl]-N-hexyl-N-methylaniline
CID 71322374
4-[4-(dibutylamino)phenyl]aniline
CID 174369648
N,N-dibutyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 2818364
4-[[4-(dibutylamino)phenyl]diazenyl]benzenesulfinic acid
CID 89267555
N-butyl-N,4-dimethylaniline;ethane
CID 176937760
N-hexyl-N-methyl-4-[[4-(2-phenylethyl)phenyl]diazenyl]aniline
CID 71322290
N,N-dibutyl-4-phosphanylaniline
CID 175417850
N-hexyl-N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
CID 71322282
[4-[4-(dibutylamino)phenyl]phenyl]boronic acid
CID 70971873

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline?
The IUPAC name of N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline (CID 89273655) is N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline.
What is the SMILES notation for N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline?
The canonical SMILES for N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline is CCCCN(C)c1ccc(/N=N/c2ccc(-c3ccc(/N=N/c4ccc(N(CCCC)CCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline?
The InChIKey is ZXUXLJYIMQGMAS-QYGUTFKISA-N. The full InChI is InChI=1S/C37H46N6/c1-5-8-27-42(4)36-23-19-34(20-24-36)40-38-32-15-11-30(12-16-32)31-13-17-33(18-14-31)39-41-35-21-25-37(26-22-35)43(28-9-6-2)29-10-7-3/h11-26H,5-10,27-29H2,1-4H3/b40-38+,41-39+.
What are the key properties of N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline?
N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline has a molecular weight of 574.82 g/mol, XLogP of 11.83, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[[4-[4-[[4-(dibutylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]-N-methylaniline is sourced from PubChem (CID 89273655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).