3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione

C280H424N14O14S3 — CID 160882749

IUPAC3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione
SMILESCCCCCCCCC(CCCCCC)c1c2c(=O)n3c(C(C)C)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(-c3ccc(C(C)C)c4nsnc34)ccc12.CCCCCCCCC(CCCCCC)c1c2c(=O)n3c(C(C)C)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(/C=C/C(C)C)ccc12.CCCCCCCCCCCCN1C(=O)C2=C(c3ccc(C(C)C)s3)N(CCCCCCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc3c(C(CCCCCC)CCCCCCCC)c4c(=O)n5c(C(C)C)ccc5c(C(CCCCCC)CCCCCCCC)c4c(=O)n23)s1.CCCCCCCCCCN1C(=O)C2=C(c3ccc(C(C)C)o3)N(CCCCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc3c(C(CCCCCC)CCCCCCCC)c4c(=O)n5c(C(C)C)ccc5c(C(CCCCCC)CCCCCCCC)c4c(=O)n23)o1
InChIInChI=1S/C88H134N4O4S2.C84H126N4O6.C56H82N4O2S.C52H82N2O2/c1-11-17-23-29-33-35-37-39-43-49-63-89-83(75-61-59-73(97-75)66(9)10)81-82(86(89)94)84(90(85(81)93)64-50-44-40-38-36-34-30-24-18-12-2)76-62-60-74(98-76)70-56-58-72-78(68(52-46-28-22-16-6)54-48-42-32-26-20-14-4)79-80(88(96)92(70)72)77(71-57-55-69(65(7)8)91(71)87(79)95)67(51-45-27-21-15-5)53-47-41-31-25-19-13-3;1-11-17-23-29-33-35-39-45-59-85-79(71-57-55-69(93-71)62(9)10)77-78(82(85)90)80(86(81(77)89)60-46-40-36-34-30-24-18-12-2)72-58-56-70(94-72)66-52-54-68-74(64(48-42-28-22-16-6)50-44-38-32-26-20-14-4)75-76(84(92)88(66)68)73(67-53-51-65(61(7)8)87(67)83(75)91)63(47-41-27-21-15-5)49-43-37-31-25-19-13-3;1-9-13-17-21-23-27-31-41(29-25-19-15-11-3)49-47-37-35-45(40(7)8)59(47)55(61)51-50(42(30-26-20-16-12-4)32-28-24-22-18-14-10-2)48-38-36-46(60(48)56(62)52(49)51)44-34-33-43(39(5)6)53-54(44)58-63-57-53;1-9-13-17-21-23-27-31-41(29-25-19-15-11-3)47-45-36-35-43(34-33-39(5)6)53(45)51(55)49-48(46-38-37-44(40(7)8)54(46)52(56)50(47)49)42(30-26-20-16-12-4)32-28-24-22-18-14-10-2/h55-62,65-68H,11-54,63-64H2,1-10H3;51-58,61-64H,11-50,59-60H2,1-10H3;33-42H,9-32H2,1-8H3;33-42H,9-32H2,1-8H3/b;;;34-33+
InChIKeySNGAEYQDLKWXTQ-LUBJFJAYSA-N
MW4306.76 g/mol
LogP84.03
Rot. Bonds160

About 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione

3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione (PubChem CID 160882749) has the molecular formula C280H424N14O14S3 and a molecular weight of 4306.76 g/mol. Its IUPAC name is 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione.

Molecular Properties

Compound Name3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione
PubChem CID160882749
Molecular FormulaC280H424N14O14S3
Molecular Weight4306.76 g/mol
Exact Mass4303.21
IUPAC Name3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione
SMILESCCCCCCCCC(CCCCCC)c1c2c(=O)n3c(C(C)C)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(-c3ccc(C(C)C)c4nsnc34)ccc12.CCCCCCCCC(CCCCCC)c1c2c(=O)n3c(C(C)C)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(/C=C/C(C)C)ccc12.CCCCCCCCCCCCN1C(=O)C2=C(c3ccc(C(C)C)s3)N(CCCCCCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc3c(C(CCCCCC)CCCCCCCC)c4c(=O)n5c(C(C)C)ccc5c(C(CCCCCC)CCCCCCCC)c4c(=O)n23)s1.CCCCCCCCCCN1C(=O)C2=C(c3ccc(C(C)C)o3)N(CCCCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc3c(C(CCCCCC)CCCCCCCC)c4c(=O)n5c(C(C)C)ccc5c(C(CCCCCC)CCCCCCCC)c4c(=O)n23)o1
InChIInChI=1S/C88H134N4O4S2.C84H126N4O6.C56H82N4O2S.C52H82N2O2/c1-11-17-23-29-33-35-37-39-43-49-63-89-83(75-61-59-73(97-75)66(9)10)81-82(86(89)94)84(90(85(81)93)64-50-44-40-38-36-34-30-24-18-12-2)76-62-60-74(98-76)70-56-58-72-78(68(52-46-28-22-16-6)54-48-42-32-26-20-14-4)79-80(88(96)92(70)72)77(71-57-55-69(65(7)8)91(71)87(79)95)67(51-45-27-21-15-5)53-47-41-31-25-19-13-3;1-11-17-23-29-33-35-39-45-59-85-79(71-57-55-69(93-71)62(9)10)77-78(82(85)90)80(86(81(77)89)60-46-40-36-34-30-24-18-12-2)72-58-56-70(94-72)66-52-54-68-74(64(48-42-28-22-16-6)50-44-38-32-26-20-14-4)75-76(84(92)88(66)68)73(67-53-51-65(61(7)8)87(67)83(75)91)63(47-41-27-21-15-5)49-43-37-31-25-19-13-3;1-9-13-17-21-23-27-31-41(29-25-19-15-11-3)49-47-37-35-45(40(7)8)59(47)55(61)51-50(42(30-26-20-16-12-4)32-28-24-22-18-14-10-2)48-38-36-46(60(48)56(62)52(49)51)44-34-33-43(39(5)6)53-54(44)58-63-57-53;1-9-13-17-21-23-27-31-41(29-25-19-15-11-3)47-45-36-35-43(34-33-39(5)6)53(45)51(55)49-48(46-38-37-44(40(7)8)54(46)52(56)50(47)49)42(30-26-20-16-12-4)32-28-24-22-18-14-10-2/h55-62,65-68H,11-54,63-64H2,1-10H3;51-58,61-64H,11-50,59-60H2,1-10H3;33-42H,9-32H2,1-8H3;33-42H,9-32H2,1-8H3/b;;;34-33+
InChIKeySNGAEYQDLKWXTQ-LUBJFJAYSA-N
XLogP84.03
TPSA305.14 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds160
Heavy Atoms311
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004306.76
LogP ≤ 584.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione with MolForge

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Related Compounds

2,5-dimethyl-1,4-bis(5-methylfuran-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(4-methylphenyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methyl-2-pyridinyl)pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1,4-bis(5-methylthiophen-2-yl)pyrrolo[3,4-c]pyrrole-3,6-dione;(2E)-2-(1,6-dimethyl-3-oxoindol-2-ylidene)-1,6-dimethylindol-3-one;(3E)-3-(1,6-dimethyl-2-oxoindol-3-ylidene)-1,6-dimethylindol-2-one
CID 164961913
2,5-dimethyl-1-(5-methylfuran-2-yl)-4-[5-[(E)-prop-1-enyl]furan-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione;2,5-dimethyl-1-(5-methylthiophen-2-yl)-4-[5-[(E)-prop-1-enyl]thiophen-2-yl]pyrrolo[3,4-c]pyrrole-3,6-dione;methane;5-(4-methylphenyl)-10,20-diphenyl-15-[4-[(E)-prop-1-enyl]phenyl]-21,23-dihydroporphyrin;5-(4-methylphenyl)-10-[4-[(E)-prop-1-enyl]phenyl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole;5-(5-methylthiophen-2-yl)-10-[5-[(E)-prop-1-enyl]thiophen-2-yl]-[2,1,3]benzothiadiazolo[7,6-g][2,1,3]benzothiadiazole
CID 168409647
(2Z,4E)-5-[5-[1-butan-2-yl-2-[5-[(E)-2-cyano-2-isocyanoethenyl]furan-2-yl]indol-6-yl]furan-2-yl]-2-isocyanopenta-2,4-dienenitrile;(2E,4E)-5-[5-[6-[5-[(1E,3Z)-4-cyano-4-isocyanobuta-1,3-dienyl]furan-2-yl]-1H-inden-2-yl]furan-2-yl]-2-isocyanopenta-2,4-dienenitrile;(2Z,4E)-5-[5-[2-[5-[(E)-2-cyano-2-isocyanoethenyl]furan-2-yl]-1-ethylindol-6-yl]furan-2-yl]-2-isocyanopenta-2,4-dienenitrile;(2Z,4E)-5-[5-[2-[5-[(E)-2-cyano-2-isocyanoethenyl]furan-2-yl]-1H-indol-4-yl]furan-2-yl]-2-isocyanopenta-2,4-dienenitrile;(Z)-3-[5-[2-[5-[(E)-2-cyano-2-isocyanoethenyl]furan-2-yl]-1H-indol-6-yl]furan-2-yl]-2-isocyanoprop-2-enenitrile;(2Z,4E)-5-[5-[2-[5-[(E)-2-cyano-2-isocyanoethenyl]furan-2-yl]-1-(2-methylpropyl)indol-6-yl]furan-2-yl]-2-isocyanopenta-2,4-dienenitrile;(2Z,4E)-5-[5-[2-[5-[(E)-2-cyano-2-isocyanoethenyl]thiophen-2-yl]-1-propan-2-ylindol-6-yl]furan-2-yl]-2-isocyanopenta-2,4-dienenitrile
CID 168411487

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione?
The IUPAC name of 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione (CID 160882749) is 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione.
What is the SMILES notation for 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione?
The canonical SMILES for 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione is CCCCCCCCC(CCCCCC)c1c2c(=O)n3c(C(C)C)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(-c3ccc(C(C)C)c4nsnc34)ccc12.CCCCCCCCC(CCCCCC)c1c2c(=O)n3c(C(C)C)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(/C=C/C(C)C)ccc12.CCCCCCCCCCCCN1C(=O)C2=C(c3ccc(C(C)C)s3)N(CCCCCCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc3c(C(CCCCCC)CCCCCCCC)c4c(=O)n5c(C(C)C)ccc5c(C(CCCCCC)CCCCCCCC)c4c(=O)n23)s1.CCCCCCCCCCN1C(=O)C2=C(c3ccc(C(C)C)o3)N(CCCCCCCCCC)C(=O)C2=C1c1ccc(-c2ccc3c(C(CCCCCC)CCCCCCCC)c4c(=O)n5c(C(C)C)ccc5c(C(CCCCCC)CCCCCCCC)c4c(=O)n23)o1.
What is the InChIKey of 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione?
The InChIKey is SNGAEYQDLKWXTQ-LUBJFJAYSA-N. The full InChI is InChI=1S/C88H134N4O4S2.C84H126N4O6.C56H82N4O2S.C52H82N2O2/c1-11-17-23-29-33-35-37-39-43-49-63-89-83(75-61-59-73(97-75)66(9)10)81-82(86(89)94)84(90(85(81)93)64-50-44-40-38-36-34-30-24-18-12-2)76-62-60-74(98-76)70-56-58-72-78(68(52-46-28-22-16-6)54-48-42-32-26-20-14-4)79-80(88(96)92(70)72)77(71-57-55-69(65(7)8)91(71)87(79)95)67(51-45-27-21-15-5)53-47-41-31-25-19-13-3;1-11-17-23-29-33-35-39-45-59-85-79(71-57-55-69(93-71)62(9)10)77-78(82(85)90)80(86(81(77)89)60-46-40-36-34-30-24-18-12-2)72-58-56-70(94-72)66-52-54-68-74(64(48-42-28-22-16-6)50-44-38-32-26-20-14-4)75-76(84(92)88(66)68)73(67-53-51-65(61(7)8)87(67)83(75)91)63(47-41-27-21-15-5)49-43-37-31-25-19-13-3;1-9-13-17-21-23-27-31-41(29-25-19-15-11-3)49-47-37-35-45(40(7)8)59(47)55(61)51-50(42(30-26-20-16-12-4)32-28-24-22-18-14-10-2)48-38-36-46(60(48)56(62)52(49)51)44-34-33-43(39(5)6)53-54(44)58-63-57-53;1-9-13-17-21-23-27-31-41(29-25-19-15-11-3)47-45-36-35-43(34-33-39(5)6)53(45)51(55)49-48(46-38-37-44(40(7)8)54(46)52(56)50(47)49)42(30-26-20-16-12-4)32-28-24-22-18-14-10-2/h55-62,65-68H,11-54,63-64H2,1-10H3;51-58,61-64H,11-50,59-60H2,1-10H3;33-42H,9-32H2,1-8H3;33-42H,9-32H2,1-8H3/b;;;34-33+.
What are the key properties of 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione?
3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione has a molecular weight of 4306.76 g/mol, XLogP of 84.03, 160 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2,5-didecyl-3,6-dioxo-4-(5-propan-2-ylfuran-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]furan-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;3-[5-[2,5-didodecyl-3,6-dioxo-4-(5-propan-2-ylthiophen-2-yl)pyrrolo[3,4-c]pyrrol-1-yl]thiophen-2-yl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione;6,12-di(pentadecan-7-yl)-9-propan-2-yl-3-(4-propan-2-yl-2,1,3-benzothiadiazol-7-yl)indolizino[7,6-f]indolizine-5,11-dione;3-[(E)-3-methylbut-1-enyl]-6,12-di(pentadecan-7-yl)-9-propan-2-ylindolizino[7,6-f]indolizine-5,11-dione is sourced from PubChem (CID 160882749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).