2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)anilino]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

C90H56F9N13O6 — CID 59776126

IUPAC2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)anilino]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
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(CONc5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O
InChIInChI=1S/C90H56F9N13O6/c91-88(92,93)51-16-22-54(23-17-51)100-86(116)69-44-48-14-41-67-64-8-2-5-11-72(64)103-78(67)75(48)81(84(69)114)109-106-57-30-36-61(37-31-57)112(60-34-28-56(29-35-60)105-108-80-74-47(13-40-66-63-7-1-4-10-71(63)102-77(66)74)43-50(83(80)113)46-118-111-59-26-20-53(21-27-59)90(97,98)99)62-38-32-58(33-39-62)107-110-82-76-49(15-42-68-65-9-3-6-12-73(65)104-79(68)76)45-70(85(82)115)87(117)101-55-24-18-52(19-25-55)89(94,95)96/h1-45,102-104,111,113-115H,46H2,(H,100,116)(H,101,117)/b108-105+,109-106+,110-107+
InChIKeyVEQLUAQZJLFSMR-OGXNUIQWSA-N
MW1586.50 g/mol
LogP26.99
Rot. Bonds17

About 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)anilino]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-(trifluoromethyl)anilino]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 59776126) has the molecular formula C90H56F9N13O6 and a molecular weight of 1586.50 g/mol. Its IUPAC name is 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)anilino]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-(trifluoromethyl)anilino]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 CID59776126
Molecular FormulaC90H56F9N13O6
Molecular Weight1586.50 g/mol
Exact Mass1585.43
IUPAC Name2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)anilino]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
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(CONc5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O
InChIInChI=1S/C90H56F9N13O6/c91-88(92,93)51-16-22-54(23-17-51)100-86(116)69-44-48-14-41-67-64-8-2-5-11-72(64)103-78(67)75(48)81(84(69)114)109-106-57-30-36-61(37-31-57)112(60-34-28-56(29-35-60)105-108-80-74-47(13-40-66-63-7-1-4-10-71(63)102-77(66)74)43-50(83(80)113)46-118-111-59-26-20-53(21-27-59)90(97,98)99)62-38-32-58(33-39-62)107-110-82-76-49(15-42-68-65-9-3-6-12-73(65)104-79(68)76)45-70(85(82)115)87(117)101-55-24-18-52(19-25-55)89(94,95)96/h1-45,102-104,111,113-115H,46H2,(H,100,116)(H,101,117)/b108-105+,109-106+,110-107+
InChIKeyVEQLUAQZJLFSMR-OGXNUIQWSA-N
XLogP26.99
TPSA264.92 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds17
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001586.50
LogP ≤ 526.99
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-(trifluoromethyl)anilino]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-(trifluoromethyl)anilino]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-(trifluoromethyl)anilino]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 59776126) is 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)anilino]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-(trifluoromethyl)anilino]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-(trifluoromethyl)anilino]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 O=C(Nc1ccc(C(F)(F)F)cc1)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(CONc5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O.
What is the InChIKey of 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)anilino]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 VEQLUAQZJLFSMR-OGXNUIQWSA-N. The full InChI is InChI=1S/C90H56F9N13O6/c91-88(92,93)51-16-22-54(23-17-51)100-86(116)69-44-48-14-41-67-64-8-2-5-11-72(64)103-78(67)75(48)81(84(69)114)109-106-57-30-36-61(37-31-57)112(60-34-28-56(29-35-60)105-108-80-74-47(13-40-66-63-7-1-4-10-71(63)102-77(66)74)43-50(83(80)113)46-118-111-59-26-20-53(21-27-59)90(97,98)99)62-38-32-58(33-39-62)107-110-82-76-49(15-42-68-65-9-3-6-12-73(65)104-79(68)76)45-70(85(82)115)87(117)101-55-24-18-52(19-25-55)89(94,95)96/h1-45,102-104,111,113-115H,46H2,(H,100,116)(H,101,117)/b108-105+,109-106+,110-107+.
What are the key properties of 2-hydroxy-1-[[4-[4-[[2-hydroxy-3-[[4-(trifluoromethyl)anilino]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-(trifluoromethyl)anilino]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 1586.50 g/mol, XLogP of 26.99, 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-(trifluoromethyl)anilino]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 59776126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).