N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine

C30H33N5 — CID 12796085

IUPACN-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine
SMILESCCCCC(CC)CNc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C30H33N5/c1-3-5-11-23(4-2)22-31-29-21-16-24-12-9-10-15-28(24)30(29)35-34-27-19-17-26(18-20-27)33-32-25-13-7-6-8-14-25/h6-10,12-21,23,31H,3-5,11,22H2,1-2H3/b33-32+,35-34+
InChIKeyODGIBNBBFYAOOP-VPHDGDOJSA-N
MW463.63 g/mol
LogP10.30
Rot. Bonds11

About N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine

N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine (PubChem CID 12796085) has the molecular formula C30H33N5 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine
PubChem CID12796085
Molecular FormulaC30H33N5
Molecular Weight463.63 g/mol
Exact Mass463.27
IUPAC NameN-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine
SMILESCCCCC(CC)CNc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C30H33N5/c1-3-5-11-23(4-2)22-31-29-21-16-24-12-9-10-15-28(24)30(29)35-34-27-19-17-26(18-20-27)33-32-25-13-7-6-8-14-25/h6-10,12-21,23,31H,3-5,11,22H2,1-2H3/b33-32+,35-34+
InChIKeyODGIBNBBFYAOOP-VPHDGDOJSA-N
XLogP10.30
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 510.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylhexyl)-2-hydrazinylquinazolin-4-amine
CID 107819198
N-(2-ethylhexyl)-2,3-difluoroaniline
CID 63490651
N-[ethoxy(pyridin-2-yl)methyl]-1-phenyldiazenylnaphthalen-2-amine
CID 102213995
4-N-(2-ethylhexyl)-2-N-methylquinazoline-2,4-diamine
CID 107819014
N-(2-ethylhexyl)-2-(methoxymethyl)aniline
CID 63491201
phenyl-(1-phenyldiazenylnaphthalen-2-yl)diazene
CID 22616925
1-(1-phenyldiazenylnaphthalen-2-yl)ethanol
CID 174970456
1-bromo-4-(2-ethylhexylamino)anthracene-9,10-dione
CID 89487467
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
3-bromo-N-(2-ethylhexyl)-2-methylaniline
CID 107633893
2-bromo-N-(2-ethylhexyl)-4-(trifluoromethyl)aniline
CID 107816448
N-[(2R)-2-ethylhexyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2311028

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine?
The IUPAC name of N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine (CID 12796085) is N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine.
What is the SMILES notation for N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine?
The canonical SMILES for N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine is CCCCC(CC)CNc1ccc2ccccc2c1/N=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine?
The InChIKey is ODGIBNBBFYAOOP-VPHDGDOJSA-N. The full InChI is InChI=1S/C30H33N5/c1-3-5-11-23(4-2)22-31-29-21-16-24-12-9-10-15-28(24)30(29)35-34-27-19-17-26(18-20-27)33-32-25-13-7-6-8-14-25/h6-10,12-21,23,31H,3-5,11,22H2,1-2H3/b33-32+,35-34+.
What are the key properties of N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine?
N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine has a molecular weight of 463.63 g/mol, XLogP of 10.30, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-1-[(4-phenyldiazenylphenyl)diazenyl]naphthalen-2-amine is sourced from PubChem (CID 12796085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).