3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol

C90H60F9N13O6 — CID 59630214

IUPAC3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
SMILESNOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(ON)c5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(ON)c5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O
InChIInChI=1S/C90H60F9N13O6/c91-88(92,93)52-22-13-46(14-23-52)85(116-100)67-43-49-19-40-64-61-7-1-4-10-70(61)103-76(64)73(49)79(82(67)113)109-106-55-28-34-58(35-29-55)112(59-36-30-56(31-37-59)107-110-80-74-50(20-41-65-62-8-2-5-11-71(62)104-77(65)74)44-68(83(80)114)86(117-101)47-15-24-53(25-16-47)89(94,95)96)60-38-32-57(33-39-60)108-111-81-75-51(21-42-66-63-9-3-6-12-72(63)105-78(66)75)45-69(84(81)115)87(118-102)48-17-26-54(27-18-48)90(97,98)99/h1-45,85-87,103-105,113-115H,100-102H2/b109-106+,110-107+,111-108+
InChIKeyQNCKDZYFKRYOTM-HYFQQHAQSA-N
MW1590.54 g/mol
LogP25.88
Rot. Bonds18

About 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol

3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol (PubChem CID 59630214) has the molecular formula C90H60F9N13O6 and a molecular weight of 1590.54 g/mol. Its IUPAC name is 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol.

Molecular Properties

Compound Name3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
PubChem CID59630214
Molecular FormulaC90H60F9N13O6
Molecular Weight1590.54 g/mol
Exact Mass1589.46
IUPAC Name3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
SMILESNOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(ON)c5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(ON)c5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O
InChIInChI=1S/C90H60F9N13O6/c91-88(92,93)52-22-13-46(14-23-52)85(116-100)67-43-49-19-40-64-61-7-1-4-10-70(61)103-76(64)73(49)79(82(67)113)109-106-55-28-34-58(35-29-55)112(59-36-30-56(31-37-59)107-110-80-74-50(20-41-65-62-8-2-5-11-71(62)104-77(65)74)44-68(83(80)114)86(117-101)47-15-24-53(25-16-47)89(94,95)96)60-38-32-57(33-39-60)108-111-81-75-51(21-42-66-63-9-3-6-12-72(63)105-78(66)75)45-69(84(81)115)87(118-102)48-17-26-54(27-18-48)90(97,98)99/h1-45,85-87,103-105,113-115H,100-102H2/b109-106+,110-107+,111-108+
InChIKeyQNCKDZYFKRYOTM-HYFQQHAQSA-N
XLogP25.88
TPSA291.21 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001590.54
LogP ≤ 525.88
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol?
The IUPAC name of 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol (CID 59630214) is 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol.
What is the SMILES notation for 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol?
The canonical SMILES for 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol is NOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(ON)c5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(ON)c5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O.
What is the InChIKey of 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol?
The InChIKey is QNCKDZYFKRYOTM-HYFQQHAQSA-N. The full InChI is InChI=1S/C90H60F9N13O6/c91-88(92,93)52-22-13-46(14-23-52)85(116-100)67-43-49-19-40-64-61-7-1-4-10-70(61)103-76(64)73(49)79(82(67)113)109-106-55-28-34-58(35-29-55)112(59-36-30-56(31-37-59)107-110-80-74-50(20-41-65-62-8-2-5-11-71(62)104-77(65)74)44-68(83(80)114)86(117-101)47-15-24-53(25-16-47)89(94,95)96)60-38-32-57(33-39-60)108-111-81-75-51(21-42-66-63-9-3-6-12-72(63)105-78(66)75)45-69(84(81)115)87(118-102)48-17-26-54(27-18-48)90(97,98)99/h1-45,85-87,103-105,113-115H,100-102H2/b109-106+,110-107+,111-108+.
What are the key properties of 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol?
3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol has a molecular weight of 1590.54 g/mol, XLogP of 25.88, 18 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-1-[[4-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-[4-(trifluoromethyl)phenyl]methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol is sourced from PubChem (CID 59630214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).