14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene

C61H42O6P2 — CID 58610968

IUPAC14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
SMILESc1ccc(C(OP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)(c2ccccc2)c2ccccc2OP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C61H42O6P2/c1-3-21-45(22-4-1)61(46-23-5-2-6-24-46,67-69-64-58-37-33-43-19-9-13-27-49(43)53(58)40-54-50-28-14-10-20-44(50)34-38-59(54)65-69)55-29-15-16-30-60(55)66-68-62-56-35-31-41-17-7-11-25-47(41)51(56)39-52-48-26-12-8-18-42(48)32-36-57(52)63-68/h1-38H,39-40H2
InChIKeyZIURYQMXFAWMSF-UHFFFAOYSA-N
MW932.95 g/mol
LogP16.56
Rot. Bonds7

About 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene

14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene (PubChem CID 58610968) has the molecular formula C61H42O6P2 and a molecular weight of 932.95 g/mol. Its IUPAC name is 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene.

Molecular Properties

Compound Name14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
PubChem CID58610968
Molecular FormulaC61H42O6P2
Molecular Weight932.95 g/mol
Exact Mass932.25
IUPAC Name14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene
SMILESc1ccc(C(OP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)(c2ccccc2)c2ccccc2OP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)cc1
InChIInChI=1S/C61H42O6P2/c1-3-21-45(22-4-1)61(46-23-5-2-6-24-46,67-69-64-58-37-33-43-19-9-13-27-49(43)53(58)40-54-50-28-14-10-20-44(50)34-38-59(54)65-69)55-29-15-16-30-60(55)66-68-62-56-35-31-41-17-7-11-25-47(41)51(56)39-52-48-26-12-8-18-42(48)32-36-57(52)63-68/h1-38H,39-40H2
InChIKeyZIURYQMXFAWMSF-UHFFFAOYSA-N
XLogP16.56
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500932.95
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene?
The IUPAC name of 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene (CID 58610968) is 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene.
What is the SMILES notation for 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene?
The canonical SMILES for 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene is c1ccc(C(OP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)(c2ccccc2)c2ccccc2OP2Oc3ccc4ccccc4c3Cc3c(ccc4ccccc34)O2)cc1.
What is the InChIKey of 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene?
The InChIKey is ZIURYQMXFAWMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42O6P2/c1-3-21-45(22-4-1)61(46-23-5-2-6-24-46,67-69-64-58-37-33-43-19-9-13-27-49(43)53(58)40-54-50-28-14-10-20-44(50)34-38-59(54)65-69)55-29-15-16-30-60(55)66-68-62-56-35-31-41-17-7-11-25-47(41)51(56)39-52-48-26-12-8-18-42(48)32-36-57(52)63-68/h1-38H,39-40H2.
What are the key properties of 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene?
14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene has a molecular weight of 932.95 g/mol, XLogP of 16.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-[13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaen-14-yloxy(diphenyl)methyl]phenoxy]-13,15-dioxa-14-phosphapentacyclo[14.8.0.03,12.04,9.019,24]tetracosa-1(16),3(12),4,6,8,10,17,19,21,23-decaene is sourced from PubChem (CID 58610968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).