9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate

C139H108Br8I3N7O20Si — CID 158442815

IUPAC9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate
SMILESBrc1cc(Br)cc(I)c1.C#Cc1cc(Br)cc(Br)c1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(C#Cc2cc(Br)cc(Br)c2)cc1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(I)cc1.C[Si](C)(C)C#Cc1cc(Br)cc(Br)c1.Nc1ccc(-n2c3ccc(OC=O)cc3c3cc(C(=O)O)ccc32)cc1.Nc1ccc(I)cc1.O=C=O.O=C=O.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1
InChIInChI=1S/C33H27Br2NO2.C25H24INO2.C20H14N2O4.2C14H9NO4.C11H12Br2Si.C8H4Br2.C6H3Br2I.C6H6IN.2CO2/c1-3-5-23-10-14-31-29(19-23)30-20-25(33(37)38-16-4-2)11-15-32(30)36(31)28-12-8-22(9-13-28)6-7-24-17-26(34)21-27(35)18-24;1-3-5-17-6-12-23-21(15-17)22-16-18(25(28)29-14-4-2)7-13-24(22)27(23)20-10-8-19(26)9-11-20;21-13-2-4-14(5-3-13)22-18-7-1-12(20(24)25)9-16(18)17-10-15(26-11-23)6-8-19(17)22;2*16-7-19-9-2-4-13-11(6-9)10-5-8(14(17)18)1-3-12(10)15-13;1-14(2,3)5-4-9-6-10(12)8-11(13)7-9;1-2-6-3-7(9)5-8(10)4-6;7-4-1-5(8)3-6(9)2-4;7-5-1-3-6(8)4-2-5;2*2-1-3/h8-15,17-21H,3-5,16H2,1-2H3;6-13,15-16H,3-5,14H2,1-2H3;1-11H,21H2,(H,24,25);2*1-7,15H,(H,17,18);6-8H,1-3H3;1,3-5H;1-3H;1-4H,8H2;;
InChIKeyHDAFTOCBYOEMCN-UHFFFAOYSA-N
MW3244.45 g/mol
LogP37.00
Rot. Bonds22

About 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate

9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate (PubChem CID 158442815) has the molecular formula C139H108Br8I3N7O20Si and a molecular weight of 3244.45 g/mol. Its IUPAC name is 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate.

Molecular Properties

Compound Name9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate
PubChem CID158442815
Molecular FormulaC139H108Br8I3N7O20Si
Molecular Weight3244.45 g/mol
Exact Mass3234.80
IUPAC Name9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate
SMILESBrc1cc(Br)cc(I)c1.C#Cc1cc(Br)cc(Br)c1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(C#Cc2cc(Br)cc(Br)c2)cc1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(I)cc1.C[Si](C)(C)C#Cc1cc(Br)cc(Br)c1.Nc1ccc(-n2c3ccc(OC=O)cc3c3cc(C(=O)O)ccc32)cc1.Nc1ccc(I)cc1.O=C=O.O=C=O.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1
InChIInChI=1S/C33H27Br2NO2.C25H24INO2.C20H14N2O4.2C14H9NO4.C11H12Br2Si.C8H4Br2.C6H3Br2I.C6H6IN.2CO2/c1-3-5-23-10-14-31-29(19-23)30-20-25(33(37)38-16-4-2)11-15-32(30)36(31)28-12-8-22(9-13-28)6-7-24-17-26(34)21-27(35)18-24;1-3-5-17-6-12-23-21(15-17)22-16-18(25(28)29-14-4-2)7-13-24(22)27(23)20-10-8-19(26)9-11-20;21-13-2-4-14(5-3-13)22-18-7-1-12(20(24)25)9-16(18)17-10-15(26-11-23)6-8-19(17)22;2*16-7-19-9-2-4-13-11(6-9)10-5-8(14(17)18)1-3-12(10)15-13;1-14(2,3)5-4-9-6-10(12)8-11(13)7-9;1-2-6-3-7(9)5-8(10)4-6;7-4-1-5(8)3-6(9)2-4;7-5-1-3-6(8)4-2-5;2*2-1-3/h8-15,17-21H,3-5,16H2,1-2H3;6-13,15-16H,3-5,14H2,1-2H3;1-11H,21H2,(H,24,25);2*1-7,15H,(H,17,18);6-8H,1-3H3;1,3-5H;1-3H;1-4H,8H2;;
InChIKeyHDAFTOCBYOEMCN-UHFFFAOYSA-N
XLogP37.00
TPSA410.09 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003244.45
LogP ≤ 537.00
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate with MolForge

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Related Compounds

9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;tris(carbon dioxide);6-formyloxy-9H-carbazole-3-carboxylic acid;4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate;propyl 6-propyl-9H-carbazole-3-carboxylate
CID 158185972
Bis(carbon dioxide);4-[3-[2-[3-[2-[3-(4-carboxyphenyl)-5-(4-formyloxyphenyl)phenyl]ethynyl]-5-[2-[4-(3,6-diformyloxycarbazol-9-yl)phenyl]ethynyl]phenyl]ethynyl]-5-(4-formyloxyphenyl)phenyl]benzoic acid;1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;ethyl 4-[3-(4-ethylphenyl)-5-iodophenyl]benzoate;propyl 9-[4-[2-[3,5-bis(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]-6-propylcarbazole-3-carboxylate
CID 159795859
9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;tris(carbon dioxide);9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-3-methyl-6-propylcarbazole;6-formyloxy-9H-carbazole-3-carboxylic acid;4-iodoaniline;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate;propyl 6-propyl-9H-carbazole-3-carboxylate
CID 160829038
4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole;3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[4-[4-[3-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]carbazol-9-yl]phenyl]phenyl]carbazole-3-carboxylic acid
CID 163662845

Frequently Asked Questions

What is the IUPAC name of 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate?
The IUPAC name of 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate (CID 158442815) is 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate.
What is the SMILES notation for 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate?
The canonical SMILES for 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate is Brc1cc(Br)cc(I)c1.C#Cc1cc(Br)cc(Br)c1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(C#Cc2cc(Br)cc(Br)c2)cc1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(I)cc1.C[Si](C)(C)C#Cc1cc(Br)cc(Br)c1.Nc1ccc(-n2c3ccc(OC=O)cc3c3cc(C(=O)O)ccc32)cc1.Nc1ccc(I)cc1.O=C=O.O=C=O.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1.
What is the InChIKey of 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate?
The InChIKey is HDAFTOCBYOEMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27Br2NO2.C25H24INO2.C20H14N2O4.2C14H9NO4.C11H12Br2Si.C8H4Br2.C6H3Br2I.C6H6IN.2CO2/c1-3-5-23-10-14-31-29(19-23)30-20-25(33(37)38-16-4-2)11-15-32(30)36(31)28-12-8-22(9-13-28)6-7-24-17-26(34)21-27(35)18-24;1-3-5-17-6-12-23-21(15-17)22-16-18(25(28)29-14-4-2)7-13-24(22)27(23)20-10-8-19(26)9-11-20;21-13-2-4-14(5-3-13)22-18-7-1-12(20(24)25)9-16(18)17-10-15(26-11-23)6-8-19(17)22;2*16-7-19-9-2-4-13-11(6-9)10-5-8(14(17)18)1-3-12(10)15-13;1-14(2,3)5-4-9-6-10(12)8-11(13)7-9;1-2-6-3-7(9)5-8(10)4-6;7-4-1-5(8)3-6(9)2-4;7-5-1-3-6(8)4-2-5;2*2-1-3/h8-15,17-21H,3-5,16H2,1-2H3;6-13,15-16H,3-5,14H2,1-2H3;1-11H,21H2,(H,24,25);2*1-7,15H,(H,17,18);6-8H,1-3H3;1,3-5H;1-3H;1-4H,8H2;;.
What are the key properties of 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate?
9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate has a molecular weight of 3244.45 g/mol, XLogP of 37.00, 22 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-aminophenyl)-6-formyloxycarbazole-3-carboxylic acid;bis(carbon dioxide);1,3-dibromo-5-ethynylbenzene;1,3-dibromo-5-iodobenzene;2-(3,5-dibromophenyl)ethynyl-trimethylsilane;bis(6-formyloxy-9H-carbazole-3-carboxylic acid);4-iodoaniline;propyl 9-[4-[2-(3,5-dibromophenyl)ethynyl]phenyl]-6-propylcarbazole-3-carboxylate;propyl 9-(4-iodophenyl)-6-propylcarbazole-3-carboxylate is sourced from PubChem (CID 158442815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).