3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide

C94H60Cl4N14O10 — CID 158767510

IUPAC3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide
SMILESCC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc(/N=C4\NC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c54)cc3)c2O)c(C)c1.O=C1N=c2ccccc2=C1c1c(O)oc2cc3c(C4=c5ccccc5=NC4=O)c(O)oc3cc12
InChIInChI=1S/C39H24Cl4N6O4.C29H24N6.C26H12N2O6/c1-17-15-21(53-2)12-14-25(17)46-38(51)24-16-18-7-13-23-22-5-3-4-6-26(22)45-34(23)27(18)35(36(24)50)49-48-20-10-8-19(9-11-20)44-37-28-29(39(52)47-37)31(41)33(43)32(42)30(28)40;1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19;29-23-19(11-5-1-3-7-15(11)27-23)21-13-9-18-14(10-17(13)33-25(21)31)22(26(32)34-18)20-12-6-2-4-8-16(12)28-24(20)30/h3-16,45,50H,1-2H3,(H,46,51)(H,44,47,52);3-18,30-31H,1-2H3;1-10,31-32H/b49-48+;33-32+,35-34+;
InChIKeyVAWKGKIFBPXPGU-MQBYKAJWSA-N
MW1687.41 g/mol
LogP22.31
Rot. Bonds12

About 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide

3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide (PubChem CID 158767510) has the molecular formula C94H60Cl4N14O10 and a molecular weight of 1687.41 g/mol. Its IUPAC name is 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide.

Molecular Properties

Compound Name3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide
PubChem CID158767510
Molecular FormulaC94H60Cl4N14O10
Molecular Weight1687.41 g/mol
Exact Mass1684.34
IUPAC Name3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide
SMILESCC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc(/N=C4\NC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c54)cc3)c2O)c(C)c1.O=C1N=c2ccccc2=C1c1c(O)oc2cc3c(C4=c5ccccc5=NC4=O)c(O)oc3cc12
InChIInChI=1S/C39H24Cl4N6O4.C29H24N6.C26H12N2O6/c1-17-15-21(53-2)12-14-25(17)46-38(51)24-16-18-7-13-23-22-5-3-4-6-26(22)45-34(23)27(18)35(36(24)50)49-48-20-10-8-19(9-11-20)44-37-28-29(39(52)47-37)31(41)33(43)32(42)30(28)40;1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19;29-23-19(11-5-1-3-7-15(11)27-23)21-13-9-18-14(10-17(13)33-25(21)31)22(26(32)34-18)20-12-6-2-4-8-16(12)28-24(20)30/h3-16,45,50H,1-2H3,(H,46,51)(H,44,47,52);3-18,30-31H,1-2H3;1-10,31-32H/b49-48+;33-32+,35-34+;
InChIKeyVAWKGKIFBPXPGU-MQBYKAJWSA-N
XLogP22.31
TPSA339.63 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001687.41
LogP ≤ 522.31
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide with MolForge

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Related Compounds

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
4,5,6,7-tetrachloro-3-[4-[(2-hydroxy-3-methyl-11H-benzo[a]carbazol-1-yl)diazenyl]phenyl]iminoisoindol-1-one
CID 136600891
1-[[4-[[2,4-bis[3-(dimethylamino)propylamino]-1,2-dihydro-1,3,5-triazin-6-yl]amino]phenyl]diazenyl]-2-hydroxy-N-(4-methoxy-2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 163459790
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
2-[(Z)-but-1-en-3-ynyl]-8-hydroxy-N-(4-hydroxy-2-methylphenyl)-3-methyl-9-[[4-[(4,6,7-trichloro-5-methyl-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-1H-benzo[g]indole-7-carboxamide
CID 142292624
1-[[4-(3-aminopentan-3-yl)phenyl]diazenyl]-2-hydroxy-N-(2-methylphenyl)-11H-benzo[a]carbazole-3-carboxamide
CID 136620032
1-[[4-[[(3E)-3-(2,4-dioxo-1H-quinolin-3-ylidene)isoindol-1-ylidene]amino]phenyl]diazenyl]-2-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-11H-benzo[a]carbazole-3-carboxamide
CID 137495995
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
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
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-(2,4-dimethylphenyl)-3-hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide
CID 3798515

Frequently Asked Questions

What is the IUPAC name of 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide?
The IUPAC name of 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide (CID 158767510) is 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide.
What is the SMILES notation for 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide?
The canonical SMILES for 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide is CC1(C)Nc2cccc3c(/N=N/c4ccc(/N=N/c5ccccc5)c5ccccc45)ccc(c23)N1.COc1ccc(NC(=O)c2cc3ccc4c5ccccc5[nH]c4c3c(/N=N/c3ccc(/N=C4\NC(=O)c5c(Cl)c(Cl)c(Cl)c(Cl)c54)cc3)c2O)c(C)c1.O=C1N=c2ccccc2=C1c1c(O)oc2cc3c(C4=c5ccccc5=NC4=O)c(O)oc3cc12.
What is the InChIKey of 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide?
The InChIKey is VAWKGKIFBPXPGU-MQBYKAJWSA-N. The full InChI is InChI=1S/C39H24Cl4N6O4.C29H24N6.C26H12N2O6/c1-17-15-21(53-2)12-14-25(17)46-38(51)24-16-18-7-13-23-22-5-3-4-6-26(22)45-34(23)27(18)35(36(24)50)49-48-20-10-8-19(9-11-20)44-37-28-29(39(52)47-37)31(41)33(43)32(42)30(28)40;1-29(2)30-26-14-8-13-22-25(17-18-27(31-29)28(22)26)35-34-24-16-15-23(20-11-6-7-12-21(20)24)33-32-19-9-4-3-5-10-19;29-23-19(11-5-1-3-7-15(11)27-23)21-13-9-18-14(10-17(13)33-25(21)31)22(26(32)34-18)20-12-6-2-4-8-16(12)28-24(20)30/h3-16,45,50H,1-2H3,(H,46,51)(H,44,47,52);3-18,30-31H,1-2H3;1-10,31-32H/b49-48+;33-32+,35-34+;.
What are the key properties of 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide?
3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide has a molecular weight of 1687.41 g/mol, XLogP of 22.31, 12 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,6-dihydroxy-3-(2-oxoindol-3-yl)furo[2,3-f][1]benzofuran-7-yl]indol-2-one;(2,2-dimethyl-1,3-dihydroperimidin-6-yl)-(4-phenyldiazenylnaphthalen-1-yl)diazene;2-hydroxy-N-(4-methoxy-2-methylphenyl)-1-[[4-[(4,5,6,7-tetrachloro-3-oxoisoindol-1-ylidene)amino]phenyl]diazenyl]-11H-benzo[a]carbazole-3-carboxamide is sourced from PubChem (CID 158767510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).