[13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane

C70H61O4PSi2 — CID 134950075

IUPAC[13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane
SMILESCC(C)Cc1cccc(CC(C)C)c1OP1(=O)Oc2c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc3c2-c2c(c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc23)O1
InChIInChI=1S/C70H61O4PSi2/c1-50(2)46-54-30-27-31-55(47-51(3)4)68(54)72-75(71)73-69-64(76(56-32-11-5-12-33-56,57-34-13-6-14-35-57)58-36-15-7-16-37-58)48-52-28-23-25-44-62(52)66(69)67-63-45-26-24-29-53(63)49-65(70(67)74-75)77(59-38-17-8-18-39-59,60-40-19-9-20-41-60)61-42-21-10-22-43-61/h5-45,48-51H,46-47H2,1-4H3
InChIKeyPCYYUWAJNWMDIF-UHFFFAOYSA-N
MW1053.40 g/mol
LogP12.77
Rot. Bonds14

About [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane

[13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane (PubChem CID 134950075) has the molecular formula C70H61O4PSi2 and a molecular weight of 1053.40 g/mol. Its IUPAC name is [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane.

Molecular Properties

Compound Name[13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane
PubChem CID134950075
Molecular FormulaC70H61O4PSi2
Molecular Weight1053.40 g/mol
Exact Mass1052.38
IUPAC Name[13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane
SMILESCC(C)Cc1cccc(CC(C)C)c1OP1(=O)Oc2c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc3c2-c2c(c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc23)O1
InChIInChI=1S/C70H61O4PSi2/c1-50(2)46-54-30-27-31-55(47-51(3)4)68(54)72-75(71)73-69-64(76(56-32-11-5-12-33-56,57-34-13-6-14-35-57)58-36-15-7-16-37-58)48-52-28-23-25-44-62(52)66(69)67-63-45-26-24-29-53(63)49-65(70(67)74-75)77(59-38-17-8-18-39-59,60-40-19-9-20-41-60)61-42-21-10-22-43-61/h5-45,48-51H,46-47H2,1-4H3
InChIKeyPCYYUWAJNWMDIF-UHFFFAOYSA-N
XLogP12.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.40
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane 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 [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane?
The IUPAC name of [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane (CID 134950075) is [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane.
What is the SMILES notation for [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane?
The canonical SMILES for [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane is CC(C)Cc1cccc(CC(C)C)c1OP1(=O)Oc2c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc3c2-c2c(c([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc3ccccc23)O1.
What is the InChIKey of [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane?
The InChIKey is PCYYUWAJNWMDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H61O4PSi2/c1-50(2)46-54-30-27-31-55(47-51(3)4)68(54)72-75(71)73-69-64(76(56-32-11-5-12-33-56,57-34-13-6-14-35-57)58-36-15-7-16-37-58)48-52-28-23-25-44-62(52)66(69)67-63-45-26-24-29-53(63)49-65(70(67)74-75)77(59-38-17-8-18-39-59,60-40-19-9-20-41-60)61-42-21-10-22-43-61/h5-45,48-51H,46-47H2,1-4H3.
What are the key properties of [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane?
[13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane has a molecular weight of 1053.40 g/mol, XLogP of 12.77, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [13-[2,6-bis(2-methylpropyl)phenoxy]-13-oxo-16-triphenylsilyl-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl]-triphenylsilane is sourced from PubChem (CID 134950075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).