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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide

C90H58F9N13O6 — CID 89075284

IUPAC1-[[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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
SMILESNOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccc(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/C90H58F9N13O6/c91-88(92,93)51-20-13-46(14-21-51)85(117-100)67-43-48-17-40-64-61-7-1-4-10-70(61)103-76(64)73(48)79(82(67)113)109-106-55-28-34-58(35-29-55)112(59-36-30-56(31-37-59)107-110-80-74-49(18-41-65-62-8-2-5-11-71(62)104-77(65)74)44-68(83(80)114)86(118-101)47-15-22-52(23-16-47)89(94,95)96)60-38-32-57(33-39-60)108-111-81-75-50(19-42-66-63-9-3-6-12-72(63)105-78(66)75)45-69(84(81)115)87(116)102-54-26-24-53(25-27-54)90(97,98)99/h1-45,85-86,103-105,113-115H,100-101H2,(H,102,116)/b109-106+,110-107+,111-108+
InChIKeyGFFFUVPLNIYURE-HYFQQHAQSA-N
MW1588.52 g/mol
LogP26.15
Rot. Bonds17

About 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide

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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 89075284) has the molecular formula C90H58F9N13O6 and a molecular weight of 1588.52 g/mol. Its IUPAC name is 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name1-[[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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
PubChem CID89075284
Molecular FormulaC90H58F9N13O6
Molecular Weight1588.52 g/mol
Exact Mass1587.45
IUPAC Name1-[[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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
SMILESNOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccc(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/C90H58F9N13O6/c91-88(92,93)51-20-13-46(14-21-51)85(117-100)67-43-48-17-40-64-61-7-1-4-10-70(61)103-76(64)73(48)79(82(67)113)109-106-55-28-34-58(35-29-55)112(59-36-30-56(31-37-59)107-110-80-74-49(18-41-65-62-8-2-5-11-71(62)104-77(65)74)44-68(83(80)114)86(118-101)47-15-22-52(23-16-47)89(94,95)96)60-38-32-57(33-39-60)108-111-81-75-50(19-42-66-63-9-3-6-12-72(63)105-78(66)75)45-69(84(81)115)87(116)102-54-26-24-53(25-27-54)90(97,98)99/h1-45,85-86,103-105,113-115H,100-101H2,(H,102,116)/b109-106+,110-107+,111-108+
InChIKeyGFFFUVPLNIYURE-HYFQQHAQSA-N
XLogP26.15
TPSA285.06 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001588.52
LogP ≤ 526.15
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

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 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide (CID 89075284) is 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide is NOC(c1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccc(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 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is GFFFUVPLNIYURE-HYFQQHAQSA-N. The full InChI is InChI=1S/C90H58F9N13O6/c91-88(92,93)51-20-13-46(14-21-51)85(117-100)67-43-48-17-40-64-61-7-1-4-10-70(61)103-76(64)73(48)79(82(67)113)109-106-55-28-34-58(35-29-55)112(59-36-30-56(31-37-59)107-110-80-74-49(18-41-65-62-8-2-5-11-71(62)104-77(65)74)44-68(83(80)114)86(118-101)47-15-22-52(23-16-47)89(94,95)96)60-38-32-57(33-39-60)108-111-81-75-50(19-42-66-63-9-3-6-12-72(63)105-78(66)75)45-69(84(81)115)87(116)102-54-26-24-53(25-27-54)90(97,98)99/h1-45,85-86,103-105,113-115H,100-101H2,(H,102,116)/b109-106+,110-107+,111-108+.
What are the key properties of 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 1588.52 g/mol, XLogP of 26.15, 17 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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]-2-hydroxy-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 89075284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).