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

C93H75N13O6 — CID 23565941

IUPAC3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
SMILESCCc1ccccc1C(ON)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(ON)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(ON)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O
InChIInChI=1S/C93H75N13O6/c1-4-52-19-7-10-22-64(52)91(110-94)73-49-55-31-46-70-67-25-13-16-28-76(67)97-82(70)79(55)85(88(73)107)103-100-58-34-40-61(41-35-58)106(62-42-36-59(37-43-62)101-104-86-80-56(32-47-71-68-26-14-17-29-77(68)98-83(71)80)50-74(89(86)108)92(111-95)65-23-11-8-20-53(65)5-2)63-44-38-60(39-45-63)102-105-87-81-57(33-48-72-69-27-15-18-30-78(69)99-84(72)81)51-75(90(87)109)93(112-96)66-24-12-9-21-54(66)6-3/h7-51,91-93,97-99,107-109H,4-6,94-96H2,1-3H3/b103-100+,104-101+,105-102+
InChIKeyKBCUQALGRORYFY-HCCFMKBXSA-N
MW1470.71 g/mol
LogP24.51
Rot. Bonds21

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

3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol (PubChem CID 23565941) has the molecular formula C93H75N13O6 and a molecular weight of 1470.71 g/mol. Its IUPAC name is 3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)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-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
PubChem CID23565941
Molecular FormulaC93H75N13O6
Molecular Weight1470.71 g/mol
Exact Mass1469.60
IUPAC Name3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
SMILESCCc1ccccc1C(ON)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(ON)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(ON)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O
InChIInChI=1S/C93H75N13O6/c1-4-52-19-7-10-22-64(52)91(110-94)73-49-55-31-46-70-67-25-13-16-28-76(67)97-82(70)79(55)85(88(73)107)103-100-58-34-40-61(41-35-58)106(62-42-36-59(37-43-62)101-104-86-80-56(32-47-71-68-26-14-17-29-77(68)98-83(71)80)50-74(89(86)108)92(111-95)65-23-11-8-20-53(65)5-2)63-44-38-60(39-45-63)102-105-87-81-57(33-48-72-69-27-15-18-30-78(69)99-84(72)81)51-75(90(87)109)93(112-96)66-24-12-9-21-54(66)6-3/h7-51,91-93,97-99,107-109H,4-6,94-96H2,1-3H3/b103-100+,104-101+,105-102+
InChIKeyKBCUQALGRORYFY-HCCFMKBXSA-N
XLogP24.51
TPSA291.21 Ų
H-Bond Donors9
H-Bond Acceptors16
Rotatable Bonds21
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001470.71
LogP ≤ 524.51
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-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)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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Related Compounds

ethane;3-[(2-ethylanilino)oxymethyl]-1-[[4-(methylamino)phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol
CID 136618865
1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
(2-ethylphenyl)-[1-[[4-(N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-methylanilino)phenyl]diazenyl]-2-methoxy-11H-benzo[a]carbazol-3-yl]-formyl-methylazanium
CID 161240089
4,5,6,7-tetrachloro-3-[4-[(2-hydroxy-3-methyl-11H-benzo[a]carbazol-1-yl)diazenyl]phenyl]iminoisoindol-1-one
CID 136600891
2-hydroxy-1-[[4-[(1E,3E,5E,7E)-8-[4-[[2-hydroxy-3-(phenylcarbamoyl)-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]octa-1,3,5,7-tetraenyl]phenyl]diazenyl]-N-phenyl-11H-benzo[a]carbazole-3-carboxamide
CID 139655308
8-chloro-1-[[4-[4-[[8-chloro-3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[8-chloro-2-methoxy-3-[methyl-(2-prop-1-ynylphenyl)carbamoyl]-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-N-(2-ethylphenyl)-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide;N-(2-ethylphenyl)-1-[[4-[N-[4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methoxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]-4-[[3-[(2-ethylphenyl)-methylcarbamoyl]-2-methyl-11H-benzo[a]carbazol-1-yl]diazenyl]anilino]phenyl]diazenyl]-N,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
CID 159746814
3-[4-[[3-(anilinooxymethyl)-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]imino-4,6,7-trichloro-5-methylisoindol-1-one
CID 136951613
1-butyl-11H-benzo[a]carbazole
CID 70621746
ethane;2-hydroxy-N-phenyl-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide
CID 136658590
2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-(naphthalen-1-yldiazenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 148944384
N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
CID 20656390
5-(4-chloroanilino)-4-[[9-[[8-chloro-3-[(2-ethylphenyl)-(hydroxyamino)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-3-hydroxy-6-methyl-N-(2-methylphenyl)naphthalene-2-carboxamide
CID 20718159

Frequently Asked Questions

What is the IUPAC name of 3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)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-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol (CID 23565941) is 3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)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-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)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-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol is CCc1ccccc1C(ON)c1cc2ccc3c4ccccc4[nH]c3c2c(/N=N/c2ccc(N(c3ccc(/N=N/c4c(O)c(C(ON)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)c3ccc(/N=N/c4c(O)c(C(ON)c5ccccc5CC)cc5ccc6c7ccccc7[nH]c6c45)cc3)cc2)c1O.
What is the InChIKey of 3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol?
The InChIKey is KBCUQALGRORYFY-HCCFMKBXSA-N. The full InChI is InChI=1S/C93H75N13O6/c1-4-52-19-7-10-22-64(52)91(110-94)73-49-55-31-46-70-67-25-13-16-28-76(67)97-82(70)79(55)85(88(73)107)103-100-58-34-40-61(41-35-58)106(62-42-36-59(37-43-62)101-104-86-80-56(32-47-71-68-26-14-17-29-77(68)98-83(71)80)50-74(89(86)108)92(111-95)65-23-11-8-20-53(65)5-2)63-44-38-60(39-45-63)102-105-87-81-57(33-48-72-69-27-15-18-30-78(69)99-84(72)81)51-75(90(87)109)93(112-96)66-24-12-9-21-54(66)6-3/h7-51,91-93,97-99,107-109H,4-6,94-96H2,1-3H3/b103-100+,104-101+,105-102+.
What are the key properties of 3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]phenyl]anilino]phenyl]diazenyl]-11H-benzo[a]carbazol-2-ol?
3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)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 1470.71 g/mol, XLogP of 24.51, 21 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[aminooxy-(2-ethylphenyl)methyl]-1-[[4-[4-[[3-[aminooxy-(2-ethylphenyl)methyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-N-[4-[[3-[aminooxy-(2-ethylphenyl)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 23565941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).