(Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene

C116H97Cl3FN21O12 — CID 54250698

IUPAC(Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene
SMILESC/N=N/c1ccc(/C=C(\C#N)c2ccc(/N=N/C)cc2)cc1.C/N=N/c1ccc(C=Cc2ccc(/N=N/C)cc2)cc1.CNC(=O)O.Cc1c(O)c(C(=O)Nc2ccc(C(=O)NC(=O)Nc3ncccn3)cc2Cl)cc2ccccc12.Cc1c(O)c(C(=O)Nc2ccccc2C(=O)NC(=O)Nc2ccccc2F)cc2ccccc12.Cc1ccccc1Nc1ccc(NC(=O)c2cc3ccc4c5cc(Cl)ccc5[nH]c4c3c(C)c2O)cc1Cl
InChIInChI=1S/C31H23Cl2N3O2.C26H20FN3O4.C24H18ClN5O4.C17H15N5.C16H16N4.C2H5NO2/c1-16-5-3-4-6-25(16)35-27-12-9-20(15-24(27)33)34-31(38)23-13-18-7-10-21-22-14-19(32)8-11-26(22)36-29(21)28(18)17(2)30(23)37;1-15-17-9-3-2-8-16(17)14-19(23(15)31)25(33)28-21-12-6-4-10-18(21)24(32)30-26(34)29-22-13-7-5-11-20(22)27;1-13-16-6-3-2-5-14(16)11-17(20(13)31)22(33)28-19-8-7-15(12-18(19)25)21(32)29-24(34)30-23-26-9-4-10-27-23;1-19-21-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(10-6-14)22-20-2;1-17-19-15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)20-18-2;1-3-2(4)5/h3-15,35-37H,1-2H3,(H,34,38);2-14,31H,1H3,(H,28,33)(H2,29,30,32,34);2-12,31H,1H3,(H,28,33)(H2,26,27,29,30,32,34);3-11H,1-2H3;3-12H,1-2H3;3H,1H3,(H,4,5)/b;;;15-11+,21-19+,22-20+;4-3?,19-17+,20-18+;
InChIKeyQWNGMXJIZZOLER-ZCIRTDQGSA-N
MW2102.54 g/mol
LogP29.16
Rot. Bonds20

About (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene

(Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene (PubChem CID 54250698) has the molecular formula C116H97Cl3FN21O12 and a molecular weight of 2102.54 g/mol. Its IUPAC name is (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene.

Molecular Properties

Compound Name(Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene
PubChem CID54250698
Molecular FormulaC116H97Cl3FN21O12
Molecular Weight2102.54 g/mol
Exact Mass2099.67
IUPAC Name(Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene
SMILESC/N=N/c1ccc(/C=C(\C#N)c2ccc(/N=N/C)cc2)cc1.C/N=N/c1ccc(C=Cc2ccc(/N=N/C)cc2)cc1.CNC(=O)O.Cc1c(O)c(C(=O)Nc2ccc(C(=O)NC(=O)Nc3ncccn3)cc2Cl)cc2ccccc12.Cc1c(O)c(C(=O)Nc2ccccc2C(=O)NC(=O)Nc2ccccc2F)cc2ccccc12.Cc1ccccc1Nc1ccc(NC(=O)c2cc3ccc4c5cc(Cl)ccc5[nH]c4c3c(C)c2O)cc1Cl
InChIInChI=1S/C31H23Cl2N3O2.C26H20FN3O4.C24H18ClN5O4.C17H15N5.C16H16N4.C2H5NO2/c1-16-5-3-4-6-25(16)35-27-12-9-20(15-24(27)33)34-31(38)23-13-18-7-10-21-22-14-19(32)8-11-26(22)36-29(21)28(18)17(2)30(23)37;1-15-17-9-3-2-8-16(17)14-19(23(15)31)25(33)28-21-12-6-4-10-18(21)24(32)30-26(34)29-22-13-7-5-11-20(22)27;1-13-16-6-3-2-5-14(16)11-17(20(13)31)22(33)28-19-8-7-15(12-18(19)25)21(32)29-24(34)30-23-26-9-4-10-27-23;1-19-21-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(10-6-14)22-20-2;1-17-19-15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)20-18-2;1-3-2(4)5/h3-15,35-37H,1-2H3,(H,34,38);2-14,31H,1H3,(H,28,33)(H2,29,30,32,34);2-12,31H,1H3,(H,28,33)(H2,26,27,29,30,32,34);3-11H,1-2H3;3-12H,1-2H3;3H,1H3,(H,4,5)/b;;;15-11+,21-19+,22-20+;4-3?,19-17+,20-18+;
InChIKeyQWNGMXJIZZOLER-ZCIRTDQGSA-N
XLogP29.16
TPSA489.99 Ų
H-Bond Donors14
H-Bond Acceptors23
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002102.54
LogP ≤ 529.16
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene with MolForge

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Related Compounds

2,6-bis(methyldiazenyl)anthracene-9,10-dione;8-chloro-N-[[3-chloro-4-[(2-methylphenyl)carbamoylcarbamoyl]phenyl]carbamoyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[[4-[2-(2-chloro-5-fluorophenyl)ethylcarbamoyl]phenyl]carbamoyl]-3-hydroxy-4-methylanthracene-2-carboxamide;4-chloro-3-(5-hydroxy-6-methyl-1,3-dioxobenzo[de]isoquinolin-2-yl)benzonitrile;N-[[4-[(2-chlorophenyl)carbamoylcarbamoyl]-2-methoxyphenyl]carbamoyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide
CID 54387474
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
N-[(2-chlorophenyl)carbamoyl]-4-[[4-[[4-[[3-[(2-chlorophenyl)carbamoylcarbamoyl]-2-hydroxynaphthalen-1-yl]diazenyl]phenyl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxamide
CID 136629268
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
N-(2-chlorophenyl)-3-hydroxy-4-(methyldiazenyl)naphthalene-2-carboxamide
CID 135731643
N-[8-chloro-1-[[9-[[8-chloro-3-[(2-ethylanilino)oxymethyl]-2-hydroxy-11H-benzo[a]carbazol-1-yl]diazenyl]-7-oxobenzo[a]phenalen-3-yl]diazenyl]-2-hydroxy-11H-benzo[a]carbazol-3-yl]-2-ethylbenzamide
CID 22964779
1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
N-[3-chloro-4-[[3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carbonyl]amino]phenyl]-3-hydroxy-4-[[2-methoxy-3-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
CID 177482631
4-[[7-[[3-[(2-chloroanilino)oxymethyl]-2-hydroxynaphthalen-1-yl]diazenyl]-9-oxofluoren-2-yl]diazenyl]-3-hydroxy-N-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalene-2-carboxamide
CID 20676679
N-[3-chloro-4-(naphthalene-1-carbonylamino)phenyl]naphthalene-1-carboxamide
CID 2179861
N-(3-chloro-4-fluorophenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265409
N-(2-ethylphenyl)-1,2-dimethyl-11H-benzo[a]carbazole-3-carboxamide
CID 20656390

Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene?
The IUPAC name of (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene (CID 54250698) is (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene.
What is the SMILES notation for (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene?
The canonical SMILES for (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene is C/N=N/c1ccc(/C=C(\C#N)c2ccc(/N=N/C)cc2)cc1.C/N=N/c1ccc(C=Cc2ccc(/N=N/C)cc2)cc1.CNC(=O)O.Cc1c(O)c(C(=O)Nc2ccc(C(=O)NC(=O)Nc3ncccn3)cc2Cl)cc2ccccc12.Cc1c(O)c(C(=O)Nc2ccccc2C(=O)NC(=O)Nc2ccccc2F)cc2ccccc12.Cc1ccccc1Nc1ccc(NC(=O)c2cc3ccc4c5cc(Cl)ccc5[nH]c4c3c(C)c2O)cc1Cl.
What is the InChIKey of (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene?
The InChIKey is QWNGMXJIZZOLER-ZCIRTDQGSA-N. The full InChI is InChI=1S/C31H23Cl2N3O2.C26H20FN3O4.C24H18ClN5O4.C17H15N5.C16H16N4.C2H5NO2/c1-16-5-3-4-6-25(16)35-27-12-9-20(15-24(27)33)34-31(38)23-13-18-7-10-21-22-14-19(32)8-11-26(22)36-29(21)28(18)17(2)30(23)37;1-15-17-9-3-2-8-16(17)14-19(23(15)31)25(33)28-21-12-6-4-10-18(21)24(32)30-26(34)29-22-13-7-5-11-20(22)27;1-13-16-6-3-2-5-14(16)11-17(20(13)31)22(33)28-19-8-7-15(12-18(19)25)21(32)29-24(34)30-23-26-9-4-10-27-23;1-19-21-16-7-3-13(4-8-16)11-15(12-18)14-5-9-17(10-6-14)22-20-2;1-17-19-15-9-5-13(6-10-15)3-4-14-7-11-16(12-8-14)20-18-2;1-3-2(4)5/h3-15,35-37H,1-2H3,(H,34,38);2-14,31H,1H3,(H,28,33)(H2,29,30,32,34);2-12,31H,1H3,(H,28,33)(H2,26,27,29,30,32,34);3-11H,1-2H3;3-12H,1-2H3;3H,1H3,(H,4,5)/b;;;15-11+,21-19+,22-20+;4-3?,19-17+,20-18+;.
What are the key properties of (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene?
(Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene has a molecular weight of 2102.54 g/mol, XLogP of 29.16, 20 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-bis[4-(methyldiazenyl)phenyl]prop-2-enenitrile;8-chloro-N-[3-chloro-4-(2-methylanilino)phenyl]-2-hydroxy-1-methyl-11H-benzo[a]carbazole-3-carboxamide;N-[2-chloro-4-(pyrimidin-2-ylcarbamoylcarbamoyl)phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;N-[2-[(2-fluorophenyl)carbamoylcarbamoyl]phenyl]-3-hydroxy-4-methylnaphthalene-2-carboxamide;methylcarbamic acid;methyl-[4-[2-[4-(methyldiazenyl)phenyl]ethenyl]phenyl]diazene is sourced from PubChem (CID 54250698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).