4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine

C37H34N6 — CID 23523630

IUPAC4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine
SMILESCCCCc1ccc(CNc2ccc(/N=N/c3ccc(/N=N/c4ccc(N)c5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C37H34N6/c1-2-3-8-26-13-15-27(16-14-26)25-39-35-23-24-37(33-12-7-6-11-32(33)35)43-41-29-19-17-28(18-20-29)40-42-36-22-21-34(38)30-9-4-5-10-31(30)36/h4-7,9-24,39H,2-3,8,25,38H2,1H3/b42-40+,43-41+
InChIKeyRCKLHHVCPABUSD-IZRQRQPJSA-N
MW562.72 g/mol
LogP11.36
Rot. Bonds10

About 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine

4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine (PubChem CID 23523630) has the molecular formula C37H34N6 and a molecular weight of 562.72 g/mol. Its IUPAC name is 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine
PubChem CID23523630
Molecular FormulaC37H34N6
Molecular Weight562.72 g/mol
Exact Mass562.28
IUPAC Name4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine
SMILESCCCCc1ccc(CNc2ccc(/N=N/c3ccc(/N=N/c4ccc(N)c5ccccc45)cc3)c3ccccc23)cc1
InChIInChI=1S/C37H34N6/c1-2-3-8-26-13-15-27(16-14-26)25-39-35-23-24-37(33-12-7-6-11-32(33)35)43-41-29-19-17-28(18-20-29)40-42-36-22-21-34(38)30-9-4-5-10-31(30)36/h4-7,9-24,39H,2-3,8,25,38H2,1H3/b42-40+,43-41+
InChIKeyRCKLHHVCPABUSD-IZRQRQPJSA-N
XLogP11.36
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.72
LogP ≤ 511.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(4-butylphenyl)-[4-[(4-pentoxyphenyl)diazenyl]naphthalen-1-yl]diazene
CID 58556728
4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]diazenyl]-N,N-diethylaniline;4-[[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]naphthalen-1-yl]diazenyl]-N,N-diethylaniline
CID 161300188
N-[(4-dodecylphenyl)methyl]naphthalen-1-amine
CID 71381127
4-[[4-[(4-phenylphenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-amine
CID 88875063
N'-(4-phenyldiazenylnaphthalen-1-yl)ethane-1,2-diamine;hydrochloride
CID 117067404
2-N-[(4-propylphenyl)methyl]benzene-1,2-diamine
CID 115124445
[4-[[[4-[[2,5-dimethyl-4-[[4-(methyldiazenyl)phenyl]diazenyl]phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenyl] 4-(7-prop-2-enoyloxyheptyl)benzoate
CID 58693234
6-[4-[[[4-[[4-(3,3,4,4-tetramethylpentyl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate;6-[4-[[[4-[[4-(2,3,3-trimethylbutan-2-yl)phenyl]diazenyl]naphthalen-1-yl]amino]methyl]phenoxy]hexyl prop-2-enoate
CID 157424787
4-[(4-aminonaphthalen-1-yl)diazenyl]benzenesulfonamide
CID 2725202
bis(4-decylphenyl)diazene
CID 71359462
4-[(4-butylphenyl)diazenyl]-N-methylaniline
CID 129106039
4-[(4-dodecylphenyl)diazenyl]aniline
CID 142720328

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine?
The IUPAC name of 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine (CID 23523630) is 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine?
The canonical SMILES for 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine is CCCCc1ccc(CNc2ccc(/N=N/c3ccc(/N=N/c4ccc(N)c5ccccc45)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine?
The InChIKey is RCKLHHVCPABUSD-IZRQRQPJSA-N. The full InChI is InChI=1S/C37H34N6/c1-2-3-8-26-13-15-27(16-14-26)25-39-35-23-24-37(33-12-7-6-11-32(33)35)43-41-29-19-17-28(18-20-29)40-42-36-22-21-34(38)30-9-4-5-10-31(30)36/h4-7,9-24,39H,2-3,8,25,38H2,1H3/b42-40+,43-41+.
What are the key properties of 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine?
4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine has a molecular weight of 562.72 g/mol, XLogP of 11.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[(4-butylphenyl)methylamino]naphthalen-1-yl]diazenyl]phenyl]diazenyl]naphthalen-1-amine is sourced from PubChem (CID 23523630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).