2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide

C90H59F6N13O6 — CID 58133224

IUPAC2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
SMILESCc1ccc(NOCc2cc3ccc4c5ccccc5[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(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc3)c2O)cc1
InChIInChI=1S/C90H59F6N13O6/c1-48-14-23-60(24-15-48)108-115-47-52-44-49-16-41-67-64-8-2-5-11-72(64)99-78(67)75(49)81(84(52)110)105-102-57-29-35-61(36-30-57)109(62-37-31-58(32-38-62)103-106-82-76-50(17-42-68-65-9-3-6-12-73(65)100-79(68)76)45-70(85(82)111)87(113)97-55-25-19-53(20-26-55)89(91,92)93)63-39-33-59(34-40-63)104-107-83-77-51(18-43-69-66-10-4-7-13-74(66)101-80(69)77)46-71(86(83)112)88(114)98-56-27-21-54(22-28-56)90(94,95)96/h2-46,99-101,108,110-112H,47H2,1H3,(H,97,113)(H,98,114)/b105-102+,106-103+,107-104+
InChIKeyPCHKFVHPVAUXSF-OOVGIHTKSA-N
MW1532.53 g/mol
LogP26.28
Rot. Bonds17

About 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide

2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 58133224) has the molecular formula C90H59F6N13O6 and a molecular weight of 1532.53 g/mol. Its IUPAC name is 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
PubChem CID58133224
Molecular FormulaC90H59F6N13O6
Molecular Weight1532.53 g/mol
Exact Mass1531.46
IUPAC Name2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide
SMILESCc1ccc(NOCc2cc3ccc4c5ccccc5[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(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc3)c2O)cc1
InChIInChI=1S/C90H59F6N13O6/c1-48-14-23-60(24-15-48)108-115-47-52-44-49-16-41-67-64-8-2-5-11-72(64)99-78(67)75(49)81(84(52)110)105-102-57-29-35-61(36-30-57)109(62-37-31-58(32-38-62)103-106-82-76-50(17-42-68-65-9-3-6-12-73(65)100-79(68)76)45-70(85(82)111)87(113)97-55-25-19-53(20-26-55)89(91,92)93)63-39-33-59(34-40-63)104-107-83-77-51(18-43-69-66-10-4-7-13-74(66)101-80(69)77)46-71(86(83)112)88(114)98-56-27-21-54(22-28-56)90(94,95)96/h2-46,99-101,108,110-112H,47H2,1H3,(H,97,113)(H,98,114)/b105-102+,106-103+,107-104+
InChIKeyPCHKFVHPVAUXSF-OOVGIHTKSA-N
XLogP26.28
TPSA264.92 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001532.53
LogP ≤ 526.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

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 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-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 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide (CID 58133224) is 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide is Cc1ccc(NOCc2cc3ccc4c5ccccc5[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(C(=O)Nc6ccc(C(F)(F)F)cc6)cc6ccc7c8ccccc8[nH]c7c56)cc4)cc3)c2O)cc1.
What is the InChIKey of 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is PCHKFVHPVAUXSF-OOVGIHTKSA-N. The full InChI is InChI=1S/C90H59F6N13O6/c1-48-14-23-60(24-15-48)108-115-47-52-44-49-16-41-67-64-8-2-5-11-72(64)99-78(67)75(49)81(84(52)110)105-102-57-29-35-61(36-30-57)109(62-37-31-58(32-38-62)103-106-82-76-50(17-42-68-65-9-3-6-12-73(65)100-79(68)76)45-70(85(82)111)87(113)97-55-25-19-53(20-26-55)89(91,92)93)63-39-33-59(34-40-63)104-107-83-77-51(18-43-69-66-10-4-7-13-74(66)101-80(69)77)46-71(86(83)112)88(114)98-56-27-21-54(22-28-56)90(94,95)96/h2-46,99-101,108,110-112H,47H2,1H3,(H,97,113)(H,98,114)/b105-102+,106-103+,107-104+.
What are the key properties of 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide?
2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 1532.53 g/mol, XLogP of 26.28, 17 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[(4-methylanilino)oxymethyl]-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)phenyl]carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-[4-(trifluoromethyl)phenyl]-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 58133224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).