diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane

C92H92P4 — CID 132598011

IUPACdiphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane
SMILESCC(C)(C)c1cc2c(P(c3ccccc3)c3ccccc3)c(c1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C92H92P4/c1-89(2,3)73-57-65-53-67-59-74(90(4,5)6)61-69(86(67)94(79-41-25-15-26-42-79)80-43-27-16-28-44-80)55-71-63-76(92(10,11)12)64-72(88(71)96(83-49-33-19-34-50-83)84-51-35-20-36-52-84)56-70-62-75(91(7,8)9)60-68(87(70)95(81-45-29-17-30-46-81)82-47-31-18-32-48-82)54-66(58-73)85(65)93(77-37-21-13-22-38-77)78-39-23-14-24-40-78/h13-52,57-64H,53-56H2,1-12H3
InChIKeyYLPVDWCYCCXBCN-UHFFFAOYSA-N
MW1321.64 g/mol
LogP18.59
Rot. Bonds12

About diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane

diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane (PubChem CID 132598011) has the molecular formula C92H92P4 and a molecular weight of 1321.64 g/mol. Its IUPAC name is diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane.

Molecular Properties

Compound Namediphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane
PubChem CID132598011
Molecular FormulaC92H92P4
Molecular Weight1321.64 g/mol
Exact Mass1320.61
IUPAC Namediphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane
SMILESCC(C)(C)c1cc2c(P(c3ccccc3)c3ccccc3)c(c1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)C2
InChIInChI=1S/C92H92P4/c1-89(2,3)73-57-65-53-67-59-74(90(4,5)6)61-69(86(67)94(79-41-25-15-26-42-79)80-43-27-16-28-44-80)55-71-63-76(92(10,11)12)64-72(88(71)96(83-49-33-19-34-50-83)84-51-35-20-36-52-84)56-70-62-75(91(7,8)9)60-68(87(70)95(81-45-29-17-30-46-81)82-47-31-18-32-48-82)54-66(58-73)85(65)93(77-37-21-13-22-38-77)78-39-23-14-24-40-78/h13-52,57-64H,53-56H2,1-12H3
InChIKeyYLPVDWCYCCXBCN-UHFFFAOYSA-N
XLogP18.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001321.64
LogP ≤ 518.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane?
The IUPAC name of diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane (CID 132598011) is diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane.
What is the SMILES notation for diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane?
The canonical SMILES for diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane is CC(C)(C)c1cc2c(P(c3ccccc3)c3ccccc3)c(c1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)Cc1cc(C(C)(C)C)cc(c1P(c1ccccc1)c1ccccc1)C2.
What is the InChIKey of diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane?
The InChIKey is YLPVDWCYCCXBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H92P4/c1-89(2,3)73-57-65-53-67-59-74(90(4,5)6)61-69(86(67)94(79-41-25-15-26-42-79)80-43-27-16-28-44-80)55-71-63-76(92(10,11)12)64-72(88(71)96(83-49-33-19-34-50-83)84-51-35-20-36-52-84)56-70-62-75(91(7,8)9)60-68(87(70)95(81-45-29-17-30-46-81)82-47-31-18-32-48-82)54-66(58-73)85(65)93(77-37-21-13-22-38-77)78-39-23-14-24-40-78/h13-52,57-64H,53-56H2,1-12H3.
What are the key properties of diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane?
diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane has a molecular weight of 1321.64 g/mol, XLogP of 18.59, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyl)-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]phosphane is sourced from PubChem (CID 132598011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).