4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine

C151H171Br2N7O8 — CID 162087191

IUPAC4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine
SMILESC.C1CCNCC1.C=Cc1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.C=Cc1ccc(Br)cc1.CC.CC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.COc1cc(/C=C(\C#N)C(=O)O)c(C)cc1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.COc1cc(C=O)c(C)cc1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.N#CCC(=O)O.O=Cc1ccc(Br)cc1
InChIInChI=1S/C40H40N2O3.C37H39NO2.C28H31N.C20H25N.C8H7Br.C7H5BrO.C5H11N.C3H3NO2.C2H6.CH4/c1-25-19-27(37(45-8)21-28(25)20-29(24-41)38(43)44)12-9-26-10-15-32(16-11-26)42-35-17-13-30(39(2,3)4)22-33(35)34-23-31(40(5,6)7)14-18-36(34)42;1-24-19-26(35(40-8)20-27(24)23-39)12-9-25-10-15-30(16-11-25)38-33-17-13-28(36(2,3)4)21-31(33)32-22-29(37(5,6)7)14-18-34(32)38;1-8-19-9-13-22(14-10-19)29-25-15-11-20(27(2,3)4)17-23(25)24-18-21(28(5,6)7)12-16-26(24)29;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-2-7-3-5-8(9)6-4-7;8-7-3-1-6(5-9)2-4-7;1-2-4-6-5-3-1;4-2-1-3(5)6;1-2;/h9-23H,1-8H3,(H,43,44);9-23H,1-8H3;8-18H,1H2,2-7H3;7-12,21H,1-6H3;2-6H,1H2;1-5H;6H,1-5H2;1H2,(H,5,6);1-2H3;1H4/b12-9+,29-20+;12-9+;;;;;;;;
InChIKeyZDCWEUOAMOZRGR-GGIHYJRBSA-N
MW2371.88 g/mol
LogP41.23
Rot. Bonds16

About 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine

4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine (PubChem CID 162087191) has the molecular formula C151H171Br2N7O8 and a molecular weight of 2371.88 g/mol. Its IUPAC name is 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine.

Molecular Properties

Compound Name4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine
PubChem CID162087191
Molecular FormulaC151H171Br2N7O8
Molecular Weight2371.88 g/mol
Exact Mass2368.16
IUPAC Name4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine
SMILESC.C1CCNCC1.C=Cc1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.C=Cc1ccc(Br)cc1.CC.CC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.COc1cc(/C=C(\C#N)C(=O)O)c(C)cc1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.COc1cc(C=O)c(C)cc1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.N#CCC(=O)O.O=Cc1ccc(Br)cc1
InChIInChI=1S/C40H40N2O3.C37H39NO2.C28H31N.C20H25N.C8H7Br.C7H5BrO.C5H11N.C3H3NO2.C2H6.CH4/c1-25-19-27(37(45-8)21-28(25)20-29(24-41)38(43)44)12-9-26-10-15-32(16-11-26)42-35-17-13-30(39(2,3)4)22-33(35)34-23-31(40(5,6)7)14-18-36(34)42;1-24-19-26(35(40-8)20-27(24)23-39)12-9-25-10-15-30(16-11-25)38-33-17-13-28(36(2,3)4)21-31(33)32-22-29(37(5,6)7)14-18-34(32)38;1-8-19-9-13-22(14-10-19)29-25-15-11-20(27(2,3)4)17-23(25)24-18-21(28(5,6)7)12-16-26(24)29;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-2-7-3-5-8(9)6-4-7;8-7-3-1-6(5-9)2-4-7;1-2-4-6-5-3-1;4-2-1-3(5)6;1-2;/h9-23H,1-8H3,(H,43,44);9-23H,1-8H3;8-18H,1H2,2-7H3;7-12,21H,1-6H3;2-6H,1H2;1-5H;6H,1-5H2;1H2,(H,5,6);1-2H3;1H4/b12-9+,29-20+;12-9+;;;;;;;;
InChIKeyZDCWEUOAMOZRGR-GGIHYJRBSA-N
XLogP41.23
TPSA217.39 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.88
LogP ≤ 541.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine with MolForge

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Related Compounds

4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;piperidine
CID 159636040
N-[2-[2-(4-bromophenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[2-(2-formylphenyl)-5-methoxy-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(2-methoxyphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(3-methoxyphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(2-methylphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(3-methylphenyl)-1H-indol-3-yl]ethyl]acetamide;N-[2-[5-methoxy-2-(4-methylphenyl)-1H-indol-3-yl]ethyl]acetamide
CID 161189666
1-bromo-2-propylbenzene;1-bromo-4-propylbenzene;1-cyclohexylethylbenzene;N,N-dimethyl-4-propylaniline;2,4-dimethyl-1-propylbenzene;1-(1H-indol-3-yl)ethanone;1-methoxy-3-methyl-2-propylbenzene;1-methoxy-4-propylbenzene;2-methylbenzoic acid;methyl 3-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylate;3-methyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;1-methyl-2-propylbenzene;1-phenylbutylbenzene;1-propyladamantane;4-propylphenol
CID 164986171

Frequently Asked Questions

What is the IUPAC name of 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine?
The IUPAC name of 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine (CID 162087191) is 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine.
What is the SMILES notation for 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine?
The canonical SMILES for 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine is C.C1CCNCC1.C=Cc1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.C=Cc1ccc(Br)cc1.CC.CC(C)(C)c1ccc2[nH]c3ccc(C(C)(C)C)cc3c2c1.COc1cc(/C=C(\C#N)C(=O)O)c(C)cc1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.COc1cc(C=O)c(C)cc1/C=C/c1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1.N#CCC(=O)O.O=Cc1ccc(Br)cc1.
What is the InChIKey of 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine?
The InChIKey is ZDCWEUOAMOZRGR-GGIHYJRBSA-N. The full InChI is InChI=1S/C40H40N2O3.C37H39NO2.C28H31N.C20H25N.C8H7Br.C7H5BrO.C5H11N.C3H3NO2.C2H6.CH4/c1-25-19-27(37(45-8)21-28(25)20-29(24-41)38(43)44)12-9-26-10-15-32(16-11-26)42-35-17-13-30(39(2,3)4)22-33(35)34-23-31(40(5,6)7)14-18-36(34)42;1-24-19-26(35(40-8)20-27(24)23-39)12-9-25-10-15-30(16-11-25)38-33-17-13-28(36(2,3)4)21-31(33)32-22-29(37(5,6)7)14-18-34(32)38;1-8-19-9-13-22(14-10-19)29-25-15-11-20(27(2,3)4)17-23(25)24-18-21(28(5,6)7)12-16-26(24)29;1-19(2,3)13-7-9-17-15(11-13)16-12-14(20(4,5)6)8-10-18(16)21-17;1-2-7-3-5-8(9)6-4-7;8-7-3-1-6(5-9)2-4-7;1-2-4-6-5-3-1;4-2-1-3(5)6;1-2;/h9-23H,1-8H3,(H,43,44);9-23H,1-8H3;8-18H,1H2,2-7H3;7-12,21H,1-6H3;2-6H,1H2;1-5H;6H,1-5H2;1H2,(H,5,6);1-2H3;1H4/b12-9+,29-20+;12-9+;;;;;;;;.
What are the key properties of 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine?
4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine has a molecular weight of 2371.88 g/mol, XLogP of 41.23, 16 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzaldehyde;1-bromo-4-ethenylbenzene;2-cyanoacetic acid;(E)-2-cyano-3-[4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylphenyl]prop-2-enoic acid;3,6-ditert-butyl-9H-carbazole;4-[(E)-2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]ethenyl]-5-methoxy-2-methylbenzaldehyde;3,6-ditert-butyl-9-(4-ethenylphenyl)carbazole;ethane;methane;piperidine is sourced from PubChem (CID 162087191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).