1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate

C87H106Br2N2O10 — CID 159743531

IUPAC1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate
SMILESC/C=C/c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CCCOCCOC)(CCCOCCOC)c4cc(C)ccc4-5)cc3)cc2OCCCCNC(=O)OC(C)(C)C)cc1.C=Cc1ccc(C=C)cc1.CC(C)(C)OC(=O)NCCCCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C62H75NO7.C15H21Br2NO3.C10H10/c1-8-13-48-15-17-51(18-16-48)27-30-54-31-28-53(46-59(54)69-39-10-9-36-63-60(64)70-61(3,4)5)26-24-50-21-19-49(20-22-50)23-25-52-29-33-56-55-32-14-47(2)44-57(55)62(58(56)45-52,34-11-37-67-42-40-65-6)35-12-38-68-43-41-66-7;1-15(2,3)21-14(19)18-6-4-5-7-20-13-9-11(16)8-12(17)10-13;1-3-9-5-7-10(4-2)8-6-9/h8,13-33,44-46H,9-12,34-43H2,1-7H3,(H,63,64);8-10H,4-7H2,1-3H3,(H,18,19);3-8H,1-2H2/b13-8+,25-23+,26-24+,30-27+;;
InChIKeyNCTKQZWYCRHERG-LZDUZIHRSA-N
MW1499.62 g/mol
LogP22.24
Rot. Bonds35

About 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate

1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate (PubChem CID 159743531) has the molecular formula C87H106Br2N2O10 and a molecular weight of 1499.62 g/mol. Its IUPAC name is 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate.

Molecular Properties

Compound Name1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate
PubChem CID159743531
Molecular FormulaC87H106Br2N2O10
Molecular Weight1499.62 g/mol
Exact Mass1496.62
IUPAC Name1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate
SMILESC/C=C/c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CCCOCCOC)(CCCOCCOC)c4cc(C)ccc4-5)cc3)cc2OCCCCNC(=O)OC(C)(C)C)cc1.C=Cc1ccc(C=C)cc1.CC(C)(C)OC(=O)NCCCCOc1cc(Br)cc(Br)c1
InChIInChI=1S/C62H75NO7.C15H21Br2NO3.C10H10/c1-8-13-48-15-17-51(18-16-48)27-30-54-31-28-53(46-59(54)69-39-10-9-36-63-60(64)70-61(3,4)5)26-24-50-21-19-49(20-22-50)23-25-52-29-33-56-55-32-14-47(2)44-57(55)62(58(56)45-52,34-11-37-67-42-40-65-6)35-12-38-68-43-41-66-7;1-15(2,3)21-14(19)18-6-4-5-7-20-13-9-11(16)8-12(17)10-13;1-3-9-5-7-10(4-2)8-6-9/h8,13-33,44-46H,9-12,34-43H2,1-7H3,(H,63,64);8-10H,4-7H2,1-3H3,(H,18,19);3-8H,1-2H2/b13-8+,25-23+,26-24+,30-27+;;
InChIKeyNCTKQZWYCRHERG-LZDUZIHRSA-N
XLogP22.24
TPSA132.04 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds35
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001499.62
LogP ≤ 522.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate with MolForge

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Related Compounds

2-methylpropan-2-yl N-[4-[4-[7-bromo-9,9-bis[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propyl]fluoren-2-yl]phenoxy]butyl]carbamate
CID 58473593
2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;tert-butyl 6-(4-bromophenoxy)hexanoate
CID 157321741
9-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-2-[(E)-2-[4-[(E)-2-[9-[[3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]methyl]-9-[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-bromofluoren-2-yl]ethenyl]phenyl]ethenyl]-9-[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene
CID 140699156
tert-butyl 3-[2-[4-[7-[4-(4-acetamidobutoxy)phenyl]-9,9-bis[3-(2-methoxyethoxy)propyl]fluoren-2-yl]phenoxy]ethoxy]propanoate
CID 58473691
2-[(E)-2-[4-[(E)-2-[9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluoren-2-yl]ethenyl]phenyl]ethenyl]-9,9-bis[[3,5-bis[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]-7-[(E)-2-(4-ethenylphenyl)ethenyl]fluorene;methane
CID 162256142
9,9-bis[6-(4-ethenylphenoxy)hexyl]-2,7-dimethylfluorene
CID 134370848
tert-butyl N-[4-(2-methoxyethoxy)butyl]carbamate
CID 58725633
2,7-dibromo-9,9-bis[3-(2-methoxyethoxy)propyl]fluorene
CID 58473533
bis(16,16-bis[3-(2-methoxyethoxy)propyl]-3,11-dimethyl-7-oxatetracyclo[11.2.1.05,15.09,14]hexadeca-1,3,5(15),9(14),10,12-hexaene);2-[11-bromo-16,16-bis[3-(2-methoxyethoxy)propyl]-7-oxatetracyclo[11.2.1.05,15.09,14]hexadeca-1,3,5(15),9(14),10,12-hexaen-3-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;tert-butyl N-[3-[2-bromo-9-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-9-yl]propyl]carbamate;tert-butyl N-[3-(2,7,9-trimethylfluoren-9-yl)propyl]carbamate;ethane;3-(2,7,9-trimethylfluoren-9-yl)propan-1-amine
CID 159414855
acetic acid;4-(4-ethenylphenoxy)butan-1-amine;1-O-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(2-methoxyethyl) 2-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-5-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-(4-aminobutoxy)phenyl]ethenyl]-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]benzene-1,4-dicarboxylate;1-O-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl] 4-O-(2-methoxyethyl) 2-bromo-5-[(E)-2-[4-[(E)-2-[4-bromo-2,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxycarbonyl]phenyl]ethenyl]-5-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethenyl]benzene-1,4-dicarboxylate;palladium
CID 159070232
2-methyl-9,9-dioctyl-7-[(E)-prop-1-enyl]fluorene
CID 59348469
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-[4-[4-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-phenylfluoren-2-yl]phenoxy]butyl]propanamide
CID 58479276

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate?
The IUPAC name of 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate (CID 159743531) is 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate.
What is the SMILES notation for 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate?
The canonical SMILES for 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate is C/C=C/c1ccc(/C=C/c2ccc(/C=C/c3ccc(/C=C/c4ccc5c(c4)C(CCCOCCOC)(CCCOCCOC)c4cc(C)ccc4-5)cc3)cc2OCCCCNC(=O)OC(C)(C)C)cc1.C=Cc1ccc(C=C)cc1.CC(C)(C)OC(=O)NCCCCOc1cc(Br)cc(Br)c1.
What is the InChIKey of 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate?
The InChIKey is NCTKQZWYCRHERG-LZDUZIHRSA-N. The full InChI is InChI=1S/C62H75NO7.C15H21Br2NO3.C10H10/c1-8-13-48-15-17-51(18-16-48)27-30-54-31-28-53(46-59(54)69-39-10-9-36-63-60(64)70-61(3,4)5)26-24-50-21-19-49(20-22-50)23-25-52-29-33-56-55-32-14-47(2)44-57(55)62(58(56)45-52,34-11-37-67-42-40-65-6)35-12-38-68-43-41-66-7;1-15(2,3)21-14(19)18-6-4-5-7-20-13-9-11(16)8-12(17)10-13;1-3-9-5-7-10(4-2)8-6-9/h8,13-33,44-46H,9-12,34-43H2,1-7H3,(H,63,64);8-10H,4-7H2,1-3H3,(H,18,19);3-8H,1-2H2/b13-8+,25-23+,26-24+,30-27+;;.
What are the key properties of 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate?
1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate has a molecular weight of 1499.62 g/mol, XLogP of 22.24, 35 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(ethenyl)benzene;tert-butyl N-[4-[5-[(E)-2-[4-[(E)-2-[9,9-bis[3-(2-methoxyethoxy)propyl]-7-methylfluoren-2-yl]ethenyl]phenyl]ethenyl]-2-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]phenoxy]butyl]carbamate;tert-butyl N-[4-(3,5-dibromophenoxy)butyl]carbamate is sourced from PubChem (CID 159743531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).