5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol

C80H68O4P4 — CID 101359024

IUPAC5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol
SMILESOc1c2cc(CP(c3ccccc3)c3ccccc3)cc1Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)C2
InChIInChI=1S/C80H68O4P4/c81-77-61-41-57(53-85(69-25-9-1-10-26-69)70-27-11-2-12-28-70)42-62(77)50-64-44-59(55-87(73-33-17-5-18-34-73)74-35-19-6-20-36-74)46-66(79(64)83)52-68-48-60(56-88(75-37-21-7-22-38-75)76-39-23-8-24-40-76)47-67(80(68)84)51-65-45-58(43-63(49-61)78(65)82)54-86(71-29-13-3-14-30-71)72-31-15-4-16-32-72/h1-48,81-84H,49-56H2
InChIKeyQOUIOGHCJHWRDF-UHFFFAOYSA-N
MW1217.32 g/mol
LogP15.72
Rot. Bonds16

About 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol

5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol (PubChem CID 101359024) has the molecular formula C80H68O4P4 and a molecular weight of 1217.32 g/mol. Its IUPAC name is 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol.

Molecular Properties

Compound Name5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol
PubChem CID101359024
Molecular FormulaC80H68O4P4
Molecular Weight1217.32 g/mol
Exact Mass1216.41
IUPAC Name5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol
SMILESOc1c2cc(CP(c3ccccc3)c3ccccc3)cc1Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)C2
InChIInChI=1S/C80H68O4P4/c81-77-61-41-57(53-85(69-25-9-1-10-26-69)70-27-11-2-12-28-70)42-62(77)50-64-44-59(55-87(73-33-17-5-18-34-73)74-35-19-6-20-36-74)46-66(79(64)83)52-68-48-60(56-88(75-37-21-7-22-38-75)76-39-23-8-24-40-76)47-67(80(68)84)51-65-45-58(43-63(49-61)78(65)82)54-86(71-29-13-3-14-30-71)72-31-15-4-16-32-72/h1-48,81-84H,49-56H2
InChIKeyQOUIOGHCJHWRDF-UHFFFAOYSA-N
XLogP15.72
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001217.32
LogP ≤ 515.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol?
The IUPAC name of 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol (CID 101359024) is 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol.
What is the SMILES notation for 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol?
The canonical SMILES for 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol is Oc1c2cc(CP(c3ccccc3)c3ccccc3)cc1Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)Cc1cc(CP(c3ccccc3)c3ccccc3)cc(c1O)C2.
What is the InChIKey of 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol?
The InChIKey is QOUIOGHCJHWRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H68O4P4/c81-77-61-41-57(53-85(69-25-9-1-10-26-69)70-27-11-2-12-28-70)42-62(77)50-64-44-59(55-87(73-33-17-5-18-34-73)74-35-19-6-20-36-74)46-66(79(64)83)52-68-48-60(56-88(75-37-21-7-22-38-75)76-39-23-8-24-40-76)47-67(80(68)84)51-65-45-58(43-63(49-61)78(65)82)54-86(71-29-13-3-14-30-71)72-31-15-4-16-32-72/h1-48,81-84H,49-56H2.
What are the key properties of 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol?
5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol has a molecular weight of 1217.32 g/mol, XLogP of 15.72, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,11,17,23-tetrakis(diphenylphosphanylmethyl)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-dodecaene-25,26,27,28-tetrol is sourced from PubChem (CID 101359024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).