N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline

C36H41N5O2 — CID 11250105

IUPACN-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(NCCCCCCCCCCCCn3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H41N5O2/c42-41(43)32-25-23-31(24-26-32)39-38-30-21-19-29(20-22-30)37-27-13-7-5-3-1-2-4-6-8-14-28-40-35-17-11-9-15-33(35)34-16-10-12-18-36(34)40/h9-12,15-26,37H,1-8,13-14,27-28H2/b39-38+
InChIKeyVFWBUOIATVFKHW-YMZYAJTMSA-N
MW575.76 g/mol
LogP11.13
Rot. Bonds17

About N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline

N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline (PubChem CID 11250105) has the molecular formula C36H41N5O2 and a molecular weight of 575.76 g/mol. Its IUPAC name is N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound NameN-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline
PubChem CID11250105
Molecular FormulaC36H41N5O2
Molecular Weight575.76 g/mol
Exact Mass575.33
IUPAC NameN-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc(NCCCCCCCCCCCCn3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C36H41N5O2/c42-41(43)32-25-23-31(24-26-32)39-38-30-21-19-29(20-22-30)37-27-13-7-5-3-1-2-4-6-8-14-28-40-35-17-11-9-15-33(35)34-16-10-12-18-36(34)40/h9-12,15-26,37H,1-8,13-14,27-28H2/b39-38+
InChIKeyVFWBUOIATVFKHW-YMZYAJTMSA-N
XLogP11.13
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.76
LogP ≤ 511.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-nitrophenyl)diazenyl]-N-(6-pyridin-1-ium-1-ylhexyl)aniline
CID 157242607
3-[3-[(4-nitrophenyl)diazenyl]carbazol-9-yl]propyl 2-methylprop-2-enoate
CID 102506876
[4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene
CID 71365460
(4-nitrophenyl)-phenyldiazene
CID 17222
11-(3-nitrocarbazol-9-yl)undecanoic acid
CID 51056130
6-(4-nitroanilino)hexanoic acid
CID 15992782
(Z)-1-butyl-3-methyl-N-[(4-nitrophenyl)diazenyl]benzimidazol-2-imine
CID 102195156
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
CID 174964795
N-[(9-ethylcarbazol-3-yl)methyl]-N'-(4-nitrophenyl)ethane-1,2-diamine
CID 4722587
5-(4-nitroanilino)pentanoic acid
CID 28972234
N'-(4-nitrophenyl)butane-1,4-diamine;hydrochloride
CID 11817436
[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene
CID 86079697

Frequently Asked Questions

What is the IUPAC name of N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline?
The IUPAC name of N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline (CID 11250105) is N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline?
The canonical SMILES for N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline is O=[N+]([O-])c1ccc(/N=N/c2ccc(NCCCCCCCCCCCCn3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline?
The InChIKey is VFWBUOIATVFKHW-YMZYAJTMSA-N. The full InChI is InChI=1S/C36H41N5O2/c42-41(43)32-25-23-31(24-26-32)39-38-30-21-19-29(20-22-30)37-27-13-7-5-3-1-2-4-6-8-14-28-40-35-17-11-9-15-33(35)34-16-10-12-18-36(34)40/h9-12,15-26,37H,1-8,13-14,27-28H2/b39-38+.
What are the key properties of N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline?
N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline has a molecular weight of 575.76 g/mol, XLogP of 11.13, 17 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 11250105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).