5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene

C96H124P4 — CID 102026497

IUPAC5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene
SMILESCCCCCCCCCCCC1c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc1c1cc2P1c1ccccc1
InChIInChI=1S/C96H124P4/c1-5-9-13-17-21-25-29-33-49-61-77-81-65-83(91-69-89(81)97(91)73-53-41-37-42-54-73)78(62-50-34-30-26-22-18-14-10-6-2)85-67-87(95-71-93(85)99(95)75-57-45-39-46-58-75)80(64-52-36-32-28-24-20-16-12-8-4)88-68-86(94-72-96(88)100(94)76-59-47-40-48-60-76)79(63-51-35-31-27-23-19-15-11-7-3)84-66-82(77)90-70-92(84)98(90)74-55-43-38-44-56-74/h37-48,53-60,65-72,77-80H,5-36,49-52,61-64H2,1-4H3
InChIKeyDSTHOFMQRGZRLC-UHFFFAOYSA-N
MW1401.94 g/mol
LogP24.50
Rot. Bonds44

About 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene

5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene (PubChem CID 102026497) has the molecular formula C96H124P4 and a molecular weight of 1401.94 g/mol. Its IUPAC name is 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene.

Molecular Properties

Compound Name5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene
PubChem CID102026497
Molecular FormulaC96H124P4
Molecular Weight1401.94 g/mol
Exact Mass1400.87
IUPAC Name5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene
SMILESCCCCCCCCCCCC1c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc1c1cc2P1c1ccccc1
InChIInChI=1S/C96H124P4/c1-5-9-13-17-21-25-29-33-49-61-77-81-65-83(91-69-89(81)97(91)73-53-41-37-42-54-73)78(62-50-34-30-26-22-18-14-10-6-2)85-67-87(95-71-93(85)99(95)75-57-45-39-46-58-75)80(64-52-36-32-28-24-20-16-12-8-4)88-68-86(94-72-96(88)100(94)76-59-47-40-48-60-76)79(63-51-35-31-27-23-19-15-11-7-3)84-66-82(77)90-70-92(84)98(90)74-55-43-38-44-56-74/h37-48,53-60,65-72,77-80H,5-36,49-52,61-64H2,1-4H3
InChIKeyDSTHOFMQRGZRLC-UHFFFAOYSA-N
XLogP24.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.94
LogP ≤ 524.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene?
The IUPAC name of 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene (CID 102026497) is 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene.
What is the SMILES notation for 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene?
The canonical SMILES for 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene is CCCCCCCCCCCC1c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc(c3cc2P3c2ccccc2)C(CCCCCCCCCCC)c2cc1c1cc2P1c1ccccc1.
What is the InChIKey of 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene?
The InChIKey is DSTHOFMQRGZRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H124P4/c1-5-9-13-17-21-25-29-33-49-61-77-81-65-83(91-69-89(81)97(91)73-53-41-37-42-54-73)78(62-50-34-30-26-22-18-14-10-6-2)85-67-87(95-71-93(85)99(95)75-57-45-39-46-58-75)80(64-52-36-32-28-24-20-16-12-8-4)88-68-86(94-72-96(88)100(94)76-59-47-40-48-60-76)79(63-51-35-31-27-23-19-15-11-7-3)84-66-82(77)90-70-92(84)98(90)74-55-43-38-44-56-74/h37-48,53-60,65-72,77-80H,5-36,49-52,61-64H2,1-4H3.
What are the key properties of 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene?
5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene has a molecular weight of 1401.94 g/mol, XLogP of 24.50, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene is sourced from PubChem (CID 102026497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).