3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione

C210H332Br8N8O8 — CID 160566760

IUPAC3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione
SMILESCCCCCCCCC(CCCCCC)c1c2c(=O)n3c(Br)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCCCCC(CCCCCCCCCC)CCCCCc1c2c(=O)n3c(Br)ccc3c(CCCCCC(CCCCCCCCCC)CCCCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCCCCCCC(CCCCCCCCCCCC)CCCCc1c2c(=O)n3c(Br)ccc3c(CCCCC(CCCCCCCCCCCC)CCCCCCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCc1c2c(=O)n3c(Br)ccc3c(CCCCCCC)c2c(=O)n2c(Br)ccc12
InChIInChI=1S/C72H122Br2N2O2.C66H110Br2N2O2.C44H66Br2N2O2.C28H34Br2N2O2/c1-5-9-13-17-21-25-29-33-37-41-49-61(50-42-38-34-30-26-22-18-14-10-6-2)53-45-47-55-63-65-57-59-67(73)75(65)72(78)70-64(66-58-60-68(74)76(66)71(77)69(63)70)56-48-46-54-62(51-43-39-35-31-27-23-19-15-11-7-3)52-44-40-36-32-28-24-20-16-12-8-4;1-5-9-13-17-21-25-29-35-43-55(44-36-30-26-22-18-14-10-6-2)47-39-33-41-49-57-59-51-53-61(67)69(59)66(72)64-58(60-52-54-62(68)70(60)65(71)63(57)64)50-42-34-40-48-56(45-37-31-27-23-19-15-11-7-3)46-38-32-28-24-20-16-12-8-4;1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)39-35-29-31-37(45)47(35)44(50)42-40(36-30-32-38(46)48(36)43(49)41(39)42)34(26-22-16-12-8-4)28-24-20-18-14-10-6-2;1-3-5-7-9-11-13-19-21-15-17-23(29)31(21)28(34)26-20(14-12-10-8-6-4-2)22-16-18-24(30)32(22)27(33)25(19)26/h57-62H,5-56H2,1-4H3;51-56H,5-50H2,1-4H3;29-34H,5-28H2,1-4H3;15-18H,3-14H2,1-2H3
InChIKeyRAADFIZFBWCKFQ-UHFFFAOYSA-N
MW3736.25 g/mol
LogP70.21
Rot. Bonds140

About 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione

3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione (PubChem CID 160566760) has the molecular formula C210H332Br8N8O8 and a molecular weight of 3736.25 g/mol. Its IUPAC name is 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione.

Molecular Properties

Compound Name3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione
PubChem CID160566760
Molecular FormulaC210H332Br8N8O8
Molecular Weight3736.25 g/mol
Exact Mass3725.93
IUPAC Name3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione
SMILESCCCCCCCCC(CCCCCC)c1c2c(=O)n3c(Br)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCCCCC(CCCCCCCCCC)CCCCCc1c2c(=O)n3c(Br)ccc3c(CCCCCC(CCCCCCCCCC)CCCCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCCCCCCC(CCCCCCCCCCCC)CCCCc1c2c(=O)n3c(Br)ccc3c(CCCCC(CCCCCCCCCCCC)CCCCCCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCc1c2c(=O)n3c(Br)ccc3c(CCCCCCC)c2c(=O)n2c(Br)ccc12
InChIInChI=1S/C72H122Br2N2O2.C66H110Br2N2O2.C44H66Br2N2O2.C28H34Br2N2O2/c1-5-9-13-17-21-25-29-33-37-41-49-61(50-42-38-34-30-26-22-18-14-10-6-2)53-45-47-55-63-65-57-59-67(73)75(65)72(78)70-64(66-58-60-68(74)76(66)71(77)69(63)70)56-48-46-54-62(51-43-39-35-31-27-23-19-15-11-7-3)52-44-40-36-32-28-24-20-16-12-8-4;1-5-9-13-17-21-25-29-35-43-55(44-36-30-26-22-18-14-10-6-2)47-39-33-41-49-57-59-51-53-61(67)69(59)66(72)64-58(60-52-54-62(68)70(60)65(71)63(57)64)50-42-34-40-48-56(45-37-31-27-23-19-15-11-7-3)46-38-32-28-24-20-16-12-8-4;1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)39-35-29-31-37(45)47(35)44(50)42-40(36-30-32-38(46)48(36)43(49)41(39)42)34(26-22-16-12-8-4)28-24-20-18-14-10-6-2;1-3-5-7-9-11-13-19-21-15-17-23(29)31(21)28(34)26-20(14-12-10-8-6-4-2)22-16-18-24(30)32(22)27(33)25(19)26/h57-62H,5-56H2,1-4H3;51-56H,5-50H2,1-4H3;29-34H,5-28H2,1-4H3;15-18H,3-14H2,1-2H3
InChIKeyRAADFIZFBWCKFQ-UHFFFAOYSA-N
XLogP70.21
TPSA171.84 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds140
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003736.25
LogP ≤ 570.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione with MolForge

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Related Compounds

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3,9-bis[(E)-2-(4-methoxyphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione
CID 177412804
2,9-bis(2-butyloctyl)-2,9-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene-3,10-dione
CID 102220061
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CID 176815175
3,9-bis[(E)-2-(3-methylphenyl)ethenyl]-6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione;6,12-bis(3-octyltridecyl)indolizino[7,6-f]indolizine-5,11-dione;6,12-di(nonyl)indolizino[7,6-f]indolizine-5,11-dione;6,12-di(undecyl)indolizino[7,6-f]indolizine-5,11-dione;4-[(E)-2-[9-[(E)-2-(4-isocyanophenyl)ethenyl]-5,11-dioxo-6,12-di(undecyl)indolizino[7,6-f]indolizin-3-yl]ethenyl]benzonitrile
CID 159372398
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Frequently Asked Questions

What is the IUPAC name of 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione?
The IUPAC name of 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione (CID 160566760) is 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione.
What is the SMILES notation for 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione?
The canonical SMILES for 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione is CCCCCCCCC(CCCCCC)c1c2c(=O)n3c(Br)ccc3c(C(CCCCCC)CCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCCCCC(CCCCCCCCCC)CCCCCc1c2c(=O)n3c(Br)ccc3c(CCCCCC(CCCCCCCCCC)CCCCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCCCCCCC(CCCCCCCCCCCC)CCCCc1c2c(=O)n3c(Br)ccc3c(CCCCC(CCCCCCCCCCCC)CCCCCCCCCCCC)c2c(=O)n2c(Br)ccc12.CCCCCCCc1c2c(=O)n3c(Br)ccc3c(CCCCCCC)c2c(=O)n2c(Br)ccc12.
What is the InChIKey of 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione?
The InChIKey is RAADFIZFBWCKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H122Br2N2O2.C66H110Br2N2O2.C44H66Br2N2O2.C28H34Br2N2O2/c1-5-9-13-17-21-25-29-33-37-41-49-61(50-42-38-34-30-26-22-18-14-10-6-2)53-45-47-55-63-65-57-59-67(73)75(65)72(78)70-64(66-58-60-68(74)76(66)71(77)69(63)70)56-48-46-54-62(51-43-39-35-31-27-23-19-15-11-7-3)52-44-40-36-32-28-24-20-16-12-8-4;1-5-9-13-17-21-25-29-35-43-55(44-36-30-26-22-18-14-10-6-2)47-39-33-41-49-57-59-51-53-61(67)69(59)66(72)64-58(60-52-54-62(68)70(60)65(71)63(57)64)50-42-34-40-48-56(45-37-31-27-23-19-15-11-7-3)46-38-32-28-24-20-16-12-8-4;1-5-9-13-17-19-23-27-33(25-21-15-11-7-3)39-35-29-31-37(45)47(35)44(50)42-40(36-30-32-38(46)48(36)43(49)41(39)42)34(26-22-16-12-8-4)28-24-20-18-14-10-6-2;1-3-5-7-9-11-13-19-21-15-17-23(29)31(21)28(34)26-20(14-12-10-8-6-4-2)22-16-18-24(30)32(22)27(33)25(19)26/h57-62H,5-56H2,1-4H3;51-56H,5-50H2,1-4H3;29-34H,5-28H2,1-4H3;15-18H,3-14H2,1-2H3.
What are the key properties of 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione?
3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione has a molecular weight of 3736.25 g/mol, XLogP of 70.21, 140 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dibromo-6,12-bis(6-decylhexadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-bis(5-dodecylheptadecyl)indolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-diheptylindolizino[7,6-f]indolizine-5,11-dione;3,9-dibromo-6,12-di(pentadecan-7-yl)indolizino[7,6-f]indolizine-5,11-dione is sourced from PubChem (CID 160566760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).