5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

C92H92O8P4 — CID 101359029

IUPAC5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
SMILESCCCOc1c2cc(CP(=O)(c3ccccc3)c3ccccc3)cc1Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)C2
InChIInChI=1S/C92H92O8P4/c1-5-49-97-89-73-53-69(65-101(93,81-33-17-9-18-34-81)82-35-19-10-20-36-82)54-74(89)62-76-56-71(67-103(95,85-41-25-13-26-42-85)86-43-27-14-28-44-86)58-78(91(76)99-51-7-3)64-80-60-72(68-104(96,87-45-29-15-30-46-87)88-47-31-16-32-48-88)59-79(92(80)100-52-8-4)63-77-57-70(55-75(61-73)90(77)98-50-6-2)66-102(94,83-37-21-11-22-38-83)84-39-23-12-24-40-84/h9-48,53-60H,5-8,49-52,61-68H2,1-4H3
InChIKeyMJBKOTDOJBFMJK-UHFFFAOYSA-N
MW1449.64 g/mol
LogP19.57
Rot. Bonds28

About 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene

5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene (PubChem CID 101359029) has the molecular formula C92H92O8P4 and a molecular weight of 1449.64 g/mol. Its IUPAC name is 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.

Molecular Properties

Compound Name5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
PubChem CID101359029
Molecular FormulaC92H92O8P4
Molecular Weight1449.64 g/mol
Exact Mass1448.57
IUPAC Name5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
SMILESCCCOc1c2cc(CP(=O)(c3ccccc3)c3ccccc3)cc1Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)C2
InChIInChI=1S/C92H92O8P4/c1-5-49-97-89-73-53-69(65-101(93,81-33-17-9-18-34-81)82-35-19-10-20-36-82)54-74(89)62-76-56-71(67-103(95,85-41-25-13-26-42-85)86-43-27-14-28-44-86)58-78(91(76)99-51-7-3)64-80-60-72(68-104(96,87-45-29-15-30-46-87)88-47-31-16-32-48-88)59-79(92(80)100-52-8-4)63-77-57-70(55-75(61-73)90(77)98-50-6-2)66-102(94,83-37-21-11-22-38-83)84-39-23-12-24-40-84/h9-48,53-60H,5-8,49-52,61-68H2,1-4H3
InChIKeyMJBKOTDOJBFMJK-UHFFFAOYSA-N
XLogP19.57
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001449.64
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene with MolForge

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Related Compounds

25,26,27,28-tetrakis(2-diphenylphosphorylethoxy)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-dodecaene
CID 100934557
(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)methanol
CID 101010259
tetrapotassium;methoxy-[11,17,23-tris[methoxy(oxido)phosphoryl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]phosphinate
CID 102210237
[hydroxy-[17-[hydroxy(phosphono)methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]phosphonic acid
CID 71662220
11,17,23-tritert-butyl-4-diphenylphosphoryl-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15(26),16,18,21(25),22-dodecaene-5-carboxylic acid
CID 102160128
5,11-bis[(E)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 50923338
5-[(Z)-2-phenylethenyl]-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene
CID 101411586
diphenyl-(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)phosphane
CID 15523207
5,11-dibromo-25,26-bis(phenylmethoxy)-27,28-dipropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 10963953
1-phenyl-3-[(25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl)methyl]urea
CID 102250772
1-phenyl-3-[[17-[(phenylcarbamoylamino)methyl]-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl]methyl]urea
CID 15784518
2-[[17-(2-benzoyl-3-oxo-3-phenylpropyl)-11,23-dibromo-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]-1,3-diphenylpropane-1,3-dione
CID 177491959

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The IUPAC name of 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene (CID 101359029) is 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene.
What is the SMILES notation for 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The canonical SMILES for 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene is CCCOc1c2cc(CP(=O)(c3ccccc3)c3ccccc3)cc1Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)Cc1cc(CP(=O)(c3ccccc3)c3ccccc3)cc(c1OCCC)C2.
What is the InChIKey of 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
The InChIKey is MJBKOTDOJBFMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H92O8P4/c1-5-49-97-89-73-53-69(65-101(93,81-33-17-9-18-34-81)82-35-19-10-20-36-82)54-74(89)62-76-56-71(67-103(95,85-41-25-13-26-42-85)86-43-27-14-28-44-86)58-78(91(76)99-51-7-3)64-80-60-72(68-104(96,87-45-29-15-30-46-87)88-47-31-16-32-48-88)59-79(92(80)100-52-8-4)63-77-57-70(55-75(61-73)90(77)98-50-6-2)66-102(94,83-37-21-11-22-38-83)84-39-23-12-24-40-84/h9-48,53-60H,5-8,49-52,61-68H2,1-4H3.
What are the key properties of 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene?
5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene has a molecular weight of 1449.64 g/mol, XLogP of 19.57, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetrakis(diphenylphosphorylmethyl)-25,26,27,28-tetrapropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene is sourced from PubChem (CID 101359029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).