4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol

C53H62N12O7 — CID 158902858

IUPAC4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol
SMILESCCCN(CCC)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1.CCCN(CCO)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C27H32N6O3.C26H30N6O4/c1-6-14-32(15-7-2)22-11-9-21(10-12-22)28-31-25-17-20(4)24(18-27(25)36-5)30-29-23-13-8-19(3)16-26(23)33(34)35;1-5-12-31(13-14-33)21-9-7-20(8-10-21)27-30-24-16-19(3)23(17-26(24)36-4)29-28-22-11-6-18(2)15-25(22)32(34)35/h8-13,16-18H,6-7,14-15H2,1-5H3;6-11,15-17,33H,5,12-14H2,1-4H3/b30-29+,31-28+;29-28+,30-27+
InChIKeyJFRABZKBPDUFFC-RBGWFJMRSA-N
MW979.16 g/mol
LogP15.94
Rot. Bonds22

About 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol

4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol (PubChem CID 158902858) has the molecular formula C53H62N12O7 and a molecular weight of 979.16 g/mol. Its IUPAC name is 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol.

Molecular Properties

Compound Name4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol
PubChem CID158902858
Molecular FormulaC53H62N12O7
Molecular Weight979.16 g/mol
Exact Mass978.49
IUPAC Name4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol
SMILESCCCN(CCC)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1.CCCN(CCO)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1
InChIInChI=1S/C27H32N6O3.C26H30N6O4/c1-6-14-32(15-7-2)22-11-9-21(10-12-22)28-31-25-17-20(4)24(18-27(25)36-5)30-29-23-13-8-19(3)16-26(23)33(34)35;1-5-12-31(13-14-33)21-9-7-20(8-10-21)27-30-24-16-19(3)23(17-26(24)36-4)29-28-22-11-6-18(2)15-25(22)32(34)35/h8-13,16-18H,6-7,14-15H2,1-5H3;6-11,15-17,33H,5,12-14H2,1-4H3/b30-29+,31-28+;29-28+,30-27+
InChIKeyJFRABZKBPDUFFC-RBGWFJMRSA-N
XLogP15.94
TPSA230.33 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds22
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500979.16
LogP ≤ 515.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol with MolForge

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Related Compounds

2-[N-butyl-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanol;ethane
CID 145172306
2-[N-(2-hydroxyethyl)-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanolate
CID 176862758
N-ethyl-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 166504462
2-[4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]diazenyl]-N-propylanilino]ethanol;2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-(2-hydroxyethyl)anilino]ethanol;2-[N-(2-hydroxyethyl)-4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]anilino]ethanol
CID 159309200
4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-methyl-N-propan-2-ylaniline
CID 118234425
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]-(4-propan-2-yliodanuidylphenyl)diazene
CID 163798769
2-[N-decyl-4-[(2-methoxy-5-methyl-4-phenyldiazenylphenyl)diazenyl]anilino]ethanol
CID 135225069
2-[4-[[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]-N-(2-nitrosoethyl)anilino]ethanol
CID 90378459
(5-methoxy-2,4-dimethylphenyl)-(4-methyl-2-nitrophenyl)diazene
CID 171057593
2-[N-(2-hydroxyethyl)-4-[(2-methyl-4-nitrophenyl)diazenyl]anilino]ethanol
CID 71387840
[4-(1-azidopentan-3-yl)phenyl]-[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazene
CID 134530520

Frequently Asked Questions

What is the IUPAC name of 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol?
The IUPAC name of 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol (CID 158902858) is 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol.
What is the SMILES notation for 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol?
The canonical SMILES for 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol is CCCN(CCC)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1.CCCN(CCO)c1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(C)cc3[N+](=O)[O-])cc2OC)cc1.
What is the InChIKey of 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol?
The InChIKey is JFRABZKBPDUFFC-RBGWFJMRSA-N. The full InChI is InChI=1S/C27H32N6O3.C26H30N6O4/c1-6-14-32(15-7-2)22-11-9-21(10-12-22)28-31-25-17-20(4)24(18-27(25)36-5)30-29-23-13-8-19(3)16-26(23)33(34)35;1-5-12-31(13-14-33)21-9-7-20(8-10-21)27-30-24-16-19(3)23(17-26(24)36-4)29-28-22-11-6-18(2)15-25(22)32(34)35/h8-13,16-18H,6-7,14-15H2,1-5H3;6-11,15-17,33H,5,12-14H2,1-4H3/b30-29+,31-28+;29-28+,30-27+.
What are the key properties of 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol?
4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol has a molecular weight of 979.16 g/mol, XLogP of 15.94, 22 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N,N-dipropylaniline;2-[4-[[2-methoxy-5-methyl-4-[(4-methyl-2-nitrophenyl)diazenyl]phenyl]diazenyl]-N-propylanilino]ethanol is sourced from PubChem (CID 158902858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).