difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane

C72H104F16O8P8 — CID 15214205

IUPACdifluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane
SMILESCCCCCCCCCCCC1c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc1c(OP(F)F)cc2OP(F)F
InChIInChI=1S/C72H104F16O8P8/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-59(67(91-99(77)78)49-65(57)89-97(73)74)54(42-38-34-30-26-22-18-14-10-6-2)61-47-63(71(95-103(85)86)51-69(61)93-101(81)82)56(44-40-36-32-28-24-20-16-12-8-4)64-48-62(70(94-102(83)84)52-72(64)96-104(87)88)55(43-39-35-31-27-23-19-15-11-7-3)60-46-58(53)66(90-98(75)76)50-68(60)92-100(79)80/h45-56H,5-44H2,1-4H3
InChIKeyXEPAJKNOFPWMOR-UHFFFAOYSA-N
MW1649.38 g/mol
LogP36.57
Rot. Bonds56

About difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane

difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane (PubChem CID 15214205) has the molecular formula C72H104F16O8P8 and a molecular weight of 1649.38 g/mol. Its IUPAC name is difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane.

Molecular Properties

Compound Namedifluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane
PubChem CID15214205
Molecular FormulaC72H104F16O8P8
Molecular Weight1649.38 g/mol
Exact Mass1648.54
IUPAC Namedifluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane
SMILESCCCCCCCCCCCC1c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc1c(OP(F)F)cc2OP(F)F
InChIInChI=1S/C72H104F16O8P8/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-59(67(91-99(77)78)49-65(57)89-97(73)74)54(42-38-34-30-26-22-18-14-10-6-2)61-47-63(71(95-103(85)86)51-69(61)93-101(81)82)56(44-40-36-32-28-24-20-16-12-8-4)64-48-62(70(94-102(83)84)52-72(64)96-104(87)88)55(43-39-35-31-27-23-19-15-11-7-3)60-46-58(53)66(90-98(75)76)50-68(60)92-100(79)80/h45-56H,5-44H2,1-4H3
InChIKeyXEPAJKNOFPWMOR-UHFFFAOYSA-N
XLogP36.57
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds56
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001649.38
LogP ≤ 536.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane?
The IUPAC name of difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane (CID 15214205) is difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane.
What is the SMILES notation for difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane?
The canonical SMILES for difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane is CCCCCCCCCCCC1c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc(c(OP(F)F)cc2OP(F)F)C(CCCCCCCCCCC)c2cc1c(OP(F)F)cc2OP(F)F.
What is the InChIKey of difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane?
The InChIKey is XEPAJKNOFPWMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H104F16O8P8/c1-5-9-13-17-21-25-29-33-37-41-53-57-45-59(67(91-99(77)78)49-65(57)89-97(73)74)54(42-38-34-30-26-22-18-14-10-6-2)61-47-63(71(95-103(85)86)51-69(61)93-101(81)82)56(44-40-36-32-28-24-20-16-12-8-4)64-48-62(70(94-102(83)84)52-72(64)96-104(87)88)55(43-39-35-31-27-23-19-15-11-7-3)60-46-58(53)66(90-98(75)76)50-68(60)92-100(79)80/h45-56H,5-44H2,1-4H3.
What are the key properties of difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane?
difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane has a molecular weight of 1649.38 g/mol, XLogP of 36.57, 56 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-[[6,10,12,16,18,22,24-heptakis(difluorophosphanyloxy)-2,8,14,20-tetra(undecyl)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl]oxy]phosphane is sourced from PubChem (CID 15214205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).