diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane

C65H83O4P — CID 89382009

IUPACdiphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane
SMILESCCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCCC)C2
InChIInChI=1S/C65H83O4P/c1-16-29-66-58-44-32-46-38-53(63(7,8)9)40-48(59(46)67-30-17-2)34-50-42-55(65(13,14)15)43-51(61(50)69-70(56-25-21-19-22-26-56)57-27-23-20-24-28-57)35-49-41-54(64(10,11)12)39-47(60(49)68-31-18-3)33-45(58)37-52(36-44)62(4,5)6/h19-28,36-43H,16-18,29-35H2,1-15H3
InChIKeyPTBXYZGUJGCHTN-UHFFFAOYSA-N
MW959.35 g/mol
LogP16.35
Rot. Bonds13

About diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane

diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane (PubChem CID 89382009) has the molecular formula C65H83O4P and a molecular weight of 959.35 g/mol. Its IUPAC name is diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane.

Molecular Properties

Compound Namediphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane
PubChem CID89382009
Molecular FormulaC65H83O4P
Molecular Weight959.35 g/mol
Exact Mass958.60
IUPAC Namediphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane
SMILESCCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCCC)C2
InChIInChI=1S/C65H83O4P/c1-16-29-66-58-44-32-46-38-53(63(7,8)9)40-48(59(46)67-30-17-2)34-50-42-55(65(13,14)15)43-51(61(50)69-70(56-25-21-19-22-26-56)57-27-23-20-24-28-57)35-49-41-54(64(10,11)12)39-47(60(49)68-31-18-3)33-45(58)37-52(36-44)62(4,5)6/h19-28,36-43H,16-18,29-35H2,1-15H3
InChIKeyPTBXYZGUJGCHTN-UHFFFAOYSA-N
XLogP16.35
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.35
LogP ≤ 516.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane?
The IUPAC name of diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane (CID 89382009) is diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane.
What is the SMILES notation for diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane?
The canonical SMILES for diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane is CCCOc1c2cc(C(C)(C)C)cc1Cc1cc(C(C)(C)C)cc(c1OCCC)Cc1cc(C(C)(C)C)cc(c1OP(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1OCCC)C2.
What is the InChIKey of diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane?
The InChIKey is PTBXYZGUJGCHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H83O4P/c1-16-29-66-58-44-32-46-38-53(63(7,8)9)40-48(59(46)67-30-17-2)34-50-42-55(65(13,14)15)43-51(61(50)69-70(56-25-21-19-22-26-56)57-27-23-20-24-28-57)35-49-41-54(64(10,11)12)39-47(60(49)68-31-18-3)33-45(58)37-52(36-44)62(4,5)6/h19-28,36-43H,16-18,29-35H2,1-15H3.
What are the key properties of diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane?
diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane has a molecular weight of 959.35 g/mol, XLogP of 16.35, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(5,11,17,23-tetratert-butyl-26,27,28-tripropoxy-25-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)oxy]phosphane is sourced from PubChem (CID 89382009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).