1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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

C90H60F3N13O6 — CID 58133225

IUPAC1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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
SMILESCc1ccc(N(C=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc(N(c4ccc(/N=N/c5c(O)c(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)c4ccc(/N=N/c5c(O)c(N(C=O)c6ccc(C)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc3)c2O)cc1
InChIInChI=1S/C90H60F3N13O6/c1-50-15-32-60(33-16-50)104(48-107)75-46-53-20-43-69-66-10-4-7-13-73(66)96-81(69)78(53)84(87(75)110)102-99-58-28-38-63(39-29-58)106(64-40-30-59(31-41-64)100-103-85-79-54(21-44-70-67-11-5-8-14-74(67)97-82(70)79)47-76(88(85)111)105(49-108)61-34-17-51(2)18-35-61)62-36-26-57(27-37-62)98-101-83-77-52(19-42-68-65-9-3-6-12-72(65)95-80(68)77)45-71(86(83)109)89(112)94-56-24-22-55(23-25-56)90(91,92)93/h3-49,95-97,109-111H,1-2H3,(H,94,112)/b101-98+,102-99+,103-100+
InChIKeyJZAOHZVGZYDGGS-KAIGWKOISA-N
MW1476.55 g/mol
LogP25.36
Rot. Bonds17

About 1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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 58133225) has the molecular formula C90H60F3N13O6 and a molecular weight of 1476.55 g/mol. Its IUPAC name is 1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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 CID58133225
Molecular FormulaC90H60F3N13O6
Molecular Weight1476.55 g/mol
Exact Mass1475.47
IUPAC Name1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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
SMILESCc1ccc(N(C=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc(N(c4ccc(/N=N/c5c(O)c(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)c4ccc(/N=N/c5c(O)c(N(C=O)c6ccc(C)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc3)c2O)cc1
InChIInChI=1S/C90H60F3N13O6/c1-50-15-32-60(33-16-50)104(48-107)75-46-53-20-43-69-66-10-4-7-13-73(66)96-81(69)78(53)84(87(75)110)102-99-58-28-38-63(39-29-58)106(64-40-30-59(31-41-64)100-103-85-79-54(21-44-70-67-11-5-8-14-74(67)97-82(70)79)47-76(88(85)111)105(49-108)61-34-17-51(2)18-35-61)62-36-26-57(27-37-62)98-101-83-77-52(19-42-68-65-9-3-6-12-72(65)95-80(68)77)45-71(86(83)109)89(112)94-56-24-22-55(23-25-56)90(91,92)93/h3-49,95-97,109-111H,1-2H3,(H,94,112)/b101-98+,102-99+,103-100+
InChIKeyJZAOHZVGZYDGGS-KAIGWKOISA-N
XLogP25.36
TPSA255.18 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds17
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001476.55
LogP ≤ 525.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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 58133225) is 1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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 Cc1ccc(N(C=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc(N(c4ccc(/N=N/c5c(O)c(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)c4ccc(/N=N/c5c(O)c(N(C=O)c6ccc(C)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc3)c2O)cc1.
What is the InChIKey of 1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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 JZAOHZVGZYDGGS-KAIGWKOISA-N. The full InChI is InChI=1S/C90H60F3N13O6/c1-50-15-32-60(33-16-50)104(48-107)75-46-53-20-43-69-66-10-4-7-13-73(66)96-81(69)78(53)84(87(75)110)102-99-58-28-38-63(39-29-58)106(64-40-30-59(31-41-64)100-103-85-79-54(21-44-70-67-11-5-8-14-74(67)97-82(70)79)47-76(88(85)111)105(49-108)61-34-17-51(2)18-35-61)62-36-26-57(27-37-62)98-101-83-77-52(19-42-68-65-9-3-6-12-72(65)95-80(68)77)45-71(86(83)109)89(112)94-56-24-22-55(23-25-56)90(91,92)93/h3-49,95-97,109-111H,1-2H3,(H,94,112)/b101-98+,102-99+,103-100+.
What are the key properties of 1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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 1476.55 g/mol, XLogP of 25.36, 17 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[[3-(N-formyl-4-methylanilino)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-(N-formyl-4-methylanilino)-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 58133225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).