3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione

C164H172N16O8 — CID 158100312

IUPAC3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione
SMILESCN(C)c1ccc(C(=CC2(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cc4c(cc32)C(=O)OC4(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(C(=CC2(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cc4c(cc32)C(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)(/C=C(/c2ccc(N(C)C)cc2)c2cccc(N(C)C)c2)OC4=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/2C82H86N8O4/c1-83(2)63-33-17-55(18-34-63)73(56-19-35-64(36-20-56)84(3)4)51-81(52-74(57-21-37-65(38-22-57)85(5)6)58-23-39-66(40-24-58)86(7)8)77-49-72-78(50-71(77)79(91)93-81)82(94-80(72)92,53-75(59-25-41-67(42-26-59)87(9)10)60-27-43-68(44-28-60)88(11)12)54-76(61-29-45-69(46-30-61)89(13)14)62-31-47-70(48-32-62)90(15)16;1-83(2)63-34-20-55(21-35-63)73(56-22-36-64(37-23-56)84(3)4)51-81(52-74(57-24-38-65(39-25-57)85(5)6)58-26-40-66(41-27-58)86(7)8)77-50-78-72(49-71(77)79(91)93-81)80(92)94-82(78,53-75(59-28-42-67(43-29-59)87(9)10)60-30-44-68(45-31-60)88(11)12)54-76(61-32-46-69(47-33-61)89(13)14)62-18-17-19-70(48-62)90(15)16/h2*17-54H,1-16H3/b;76-54-
InChIKeyFPEDJJXZDARFJR-OYYUKKAPSA-N
MW2495.28 g/mol
LogP30.95
Rot. Bonds40

About 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione

3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione (PubChem CID 158100312) has the molecular formula C164H172N16O8 and a molecular weight of 2495.28 g/mol. Its IUPAC name is 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione.

Molecular Properties

Compound Name3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione
PubChem CID158100312
Molecular FormulaC164H172N16O8
Molecular Weight2495.28 g/mol
Exact Mass2493.35
IUPAC Name3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione
SMILESCN(C)c1ccc(C(=CC2(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cc4c(cc32)C(=O)OC4(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(C(=CC2(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cc4c(cc32)C(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)(/C=C(/c2ccc(N(C)C)cc2)c2cccc(N(C)C)c2)OC4=O)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/2C82H86N8O4/c1-83(2)63-33-17-55(18-34-63)73(56-19-35-64(36-20-56)84(3)4)51-81(52-74(57-21-37-65(38-22-57)85(5)6)58-23-39-66(40-24-58)86(7)8)77-49-72-78(50-71(77)79(91)93-81)82(94-80(72)92,53-75(59-25-41-67(42-26-59)87(9)10)60-27-43-68(44-28-60)88(11)12)54-76(61-29-45-69(46-30-61)89(13)14)62-31-47-70(48-32-62)90(15)16;1-83(2)63-34-20-55(21-35-63)73(56-22-36-64(37-23-56)84(3)4)51-81(52-74(57-24-38-65(39-25-57)85(5)6)58-26-40-66(41-27-58)86(7)8)77-50-78-72(49-71(77)79(91)93-81)80(92)94-82(78,53-75(59-28-42-67(43-29-59)87(9)10)60-30-44-68(45-31-60)88(11)12)54-76(61-32-46-69(47-33-61)89(13)14)62-18-17-19-70(48-62)90(15)16/h2*17-54H,1-16H3/b;76-54-
InChIKeyFPEDJJXZDARFJR-OYYUKKAPSA-N
XLogP30.95
TPSA157.04 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002495.28
LogP ≤ 530.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione with MolForge

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Related Compounds

3,3-bis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-5-(dimethylamino)-2-benzofuran-1-one
CID 21299061
3,3-bis[2,2-bis(4-piperidin-1-ylphenyl)ethenyl]-6-(dimethylamino)-2-benzofuran-1-one
CID 21299075
3-[4,4-bis[4-(dimethylamino)phenyl]buta-1,3-dienyl]-6-(dimethylamino)-3-[4-(dimethylamino)phenyl]-2-benzofuran-1-one
CID 139790077
4,5,6,7-tetrachloro-3,3-bis[(Z)-2-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]ethenyl]-2-benzofuran-1-one
CID 87093759
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
4,5,6,7-tetrachloro-3,3-bis[2-[4-(dimethylamino)phenyl]-2-(4-methoxy-3-methylphenyl)ethenyl]-2-benzofuran-1-one
CID 54163952
4,5,6,7-tetrachloro-3,3-bis[(E)-2-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylphenyl)ethenyl]-2-benzofuran-1-one
CID 70420611
4,5,6,7-tetrachloro-3,3-bis[(Z)-2-[4-(dimethylamino)phenyl]-2-(4-methoxy-2-methylphenyl)ethenyl]-2-benzofuran-1-one
CID 66658855
3-[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-5-(dimethylamino)-3H-2-benzofuran-1-one
CID 70438473
N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
CID 5382979
3',6'-bis(dimethylamino)-6-(2-methylpropanoyl)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 126730967
4,5,6,7-tetrabromo-3,3-bis[(E)-2-[4-(dimethylamino)phenyl]-2-(4-hexoxyphenyl)ethenyl]-2-benzofuran-1-one
CID 88521437

Frequently Asked Questions

What is the IUPAC name of 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione?
The IUPAC name of 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione (CID 158100312) is 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione.
What is the SMILES notation for 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione?
The canonical SMILES for 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione is CN(C)c1ccc(C(=CC2(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cc4c(cc32)C(=O)OC4(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1.CN(C)c1ccc(C(=CC2(C=C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)OC(=O)c3cc4c(cc32)C(C=C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)(/C=C(/c2ccc(N(C)C)cc2)c2cccc(N(C)C)c2)OC4=O)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione?
The InChIKey is FPEDJJXZDARFJR-OYYUKKAPSA-N. The full InChI is InChI=1S/2C82H86N8O4/c1-83(2)63-33-17-55(18-34-63)73(56-19-35-64(36-20-56)84(3)4)51-81(52-74(57-21-37-65(38-22-57)85(5)6)58-23-39-66(40-24-58)86(7)8)77-49-72-78(50-71(77)79(91)93-81)82(94-80(72)92,53-75(59-25-41-67(42-26-59)87(9)10)60-27-43-68(44-28-60)88(11)12)54-76(61-29-45-69(46-30-61)89(13)14)62-31-47-70(48-32-62)90(15)16;1-83(2)63-34-20-55(21-35-63)73(56-22-36-64(37-23-56)84(3)4)51-81(52-74(57-24-38-65(39-25-57)85(5)6)58-26-40-66(41-27-58)86(7)8)77-50-78-72(49-71(77)79(91)93-81)80(92)94-82(78,53-75(59-28-42-67(43-29-59)87(9)10)60-30-44-68(45-31-60)88(11)12)54-76(61-32-46-69(47-33-61)89(13)14)62-18-17-19-70(48-62)90(15)16/h2*17-54H,1-16H3/b;76-54-.
What are the key properties of 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione?
3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione has a molecular weight of 2495.28 g/mol, XLogP of 30.95, 40 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,7,7-tetrakis[2,2-bis[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-1,5-dione;1,7,7-tris[2,2-bis[4-(dimethylamino)phenyl]ethenyl]-1-[(Z)-2-[3-(dimethylamino)phenyl]-2-[4-(dimethylamino)phenyl]ethenyl]furo[3,4-f][2]benzofuran-3,5-dione is sourced from PubChem (CID 158100312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).