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

C117H97Br2I2N7O18 — CID 160829038

IUPAC9-(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
SMILESCCCOC(=O)c1ccc2[nH]c3ccc(CCC)cc3c2c1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(I)cc1.CCCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#Cc2cc(Br)cc(Br)c2)cc1.Nc1ccc(-n2c3ccc(OC=O)cc3c3cc(C(=O)O)ccc32)cc1.Nc1ccc(I)cc1.O=C=O.O=C=O.O=C=O.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1
InChIInChI=1S/C30H23Br2N.C25H24INO2.C20H14N2O4.C19H21NO2.C14H9NO4.C6H6IN.3CO2/c1-3-4-22-10-14-30-28(18-22)27-15-20(2)5-13-29(27)33(30)26-11-8-21(9-12-26)6-7-23-16-24(31)19-25(32)17-23;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;1-3-5-13-6-8-17-15(11-13)16-12-14(7-9-18(16)20-17)19(21)22-10-4-2;16-7-19-9-2-4-13-11(6-9)10-5-8(14(17)18)1-3-12(10)15-13;7-5-1-3-6(8)4-2-5;3*2-1-3/h5,8-19H,3-4H2,1-2H3;6-13,15-16H,3-5,14H2,1-2H3;1-11H,21H2,(H,24,25);6-9,11-12,20H,3-5,10H2,1-2H3;1-7,15H,(H,17,18);1-4H,8H2;;;
InChIKeySGOCIZMWYNRNNB-UHFFFAOYSA-N
MW2302.71 g/mol
LogP26.99
Rot. Bonds21

About 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

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 (PubChem CID 160829038) has the molecular formula C117H97Br2I2N7O18 and a molecular weight of 2302.71 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-(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
PubChem CID160829038
Molecular FormulaC117H97Br2I2N7O18
Molecular Weight2302.71 g/mol
Exact Mass2299.33
IUPAC Name9-(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
SMILESCCCOC(=O)c1ccc2[nH]c3ccc(CCC)cc3c2c1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(I)cc1.CCCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#Cc2cc(Br)cc(Br)c2)cc1.Nc1ccc(-n2c3ccc(OC=O)cc3c3cc(C(=O)O)ccc32)cc1.Nc1ccc(I)cc1.O=C=O.O=C=O.O=C=O.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1
InChIInChI=1S/C30H23Br2N.C25H24INO2.C20H14N2O4.C19H21NO2.C14H9NO4.C6H6IN.3CO2/c1-3-4-22-10-14-30-28(18-22)27-15-20(2)5-13-29(27)33(30)26-11-8-21(9-12-26)6-7-23-16-24(31)19-25(32)17-23;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;1-3-5-13-6-8-17-15(11-13)16-12-14(7-9-18(16)20-17)19(21)22-10-4-2;16-7-19-9-2-4-13-11(6-9)10-5-8(14(17)18)1-3-12(10)15-13;7-5-1-3-6(8)4-2-5;3*2-1-3/h5,8-19H,3-4H2,1-2H3;6-13,15-16H,3-5,14H2,1-2H3;1-11H,21H2,(H,24,25);6-9,11-12,20H,3-5,10H2,1-2H3;1-7,15H,(H,17,18);1-4H,8H2;;;
InChIKeySGOCIZMWYNRNNB-UHFFFAOYSA-N
XLogP26.99
TPSA380.63 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002302.71
LogP ≤ 526.99
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 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 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
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
3-(3-aminopropyl)-5-bromo-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-carbamoyl-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-(2-fluorophenyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-(3-fluorophenyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-(4-fluorophenyl)-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-methoxy-1H-indole-2-carboxylic acid;3-(3-aminopropyl)-5-(2-oxo-2-phenylmethoxyethyl)-1H-indole-2-carboxylic acid
CID 158830452
1-(6-Bromo-9-ethylcarbazol-3-yl)butane-1,3-dione;1-(9-ethyl-6-hexanoylcarbazol-3-yl)decane-1,3-dione;1-[9-(2-ethylhexyl)-6-methoxycarbazol-3-yl]butane-1,3-dione;1-(9-ethyl-6-isocyanocarbazol-3-yl)butane-1,3-dione;9-ethyl-6-(3-oxobutanoyl)carbazole-3-carboxylic acid
CID 158963094
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
CID 160520202
CID 160520202
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
4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-bis(4-bromophenyl)aniline;4-[(E)-2-[3,5-bis[(E)-2-(3-decoxyphenyl)ethenyl]phenyl]ethenyl]-N-(4-bromophenyl)-N-phenylaniline;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 163856856

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCOC(=O)c1ccc2[nH]c3ccc(CCC)cc3c2c1.CCCOC(=O)c1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(I)cc1.CCCc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#Cc2cc(Br)cc(Br)c2)cc1.Nc1ccc(-n2c3ccc(OC=O)cc3c3cc(C(=O)O)ccc32)cc1.Nc1ccc(I)cc1.O=C=O.O=C=O.O=C=O.O=COc1ccc2[nH]c3ccc(C(=O)O)cc3c2c1.
What is the InChIKey of 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?
The InChIKey is SGOCIZMWYNRNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Br2N.C25H24INO2.C20H14N2O4.C19H21NO2.C14H9NO4.C6H6IN.3CO2/c1-3-4-22-10-14-30-28(18-22)27-15-20(2)5-13-29(27)33(30)26-11-8-21(9-12-26)6-7-23-16-24(31)19-25(32)17-23;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;1-3-5-13-6-8-17-15(11-13)16-12-14(7-9-18(16)20-17)19(21)22-10-4-2;16-7-19-9-2-4-13-11(6-9)10-5-8(14(17)18)1-3-12(10)15-13;7-5-1-3-6(8)4-2-5;3*2-1-3/h5,8-19H,3-4H2,1-2H3;6-13,15-16H,3-5,14H2,1-2H3;1-11H,21H2,(H,24,25);6-9,11-12,20H,3-5,10H2,1-2H3;1-7,15H,(H,17,18);1-4H,8H2;;;.
What are the key properties of 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?
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 has a molecular weight of 2302.71 g/mol, XLogP of 26.99, 21 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160829038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).