2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane

C74H68O8P2 — CID 58202655

IUPAC2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(C(C)(C)C)c1
InChIInChI=1S/C74H68O8P2/c1-69(2,3)65-51-61(75-7)49-63(67(65)77-83-79-71(53-33-17-9-18-34-53,54-35-19-10-20-36-54)72(80-83,55-37-21-11-22-38-55)56-39-23-12-24-40-56)64-50-62(76-8)52-66(70(4,5)6)68(64)78-84-81-73(57-41-25-13-26-42-57,58-43-27-14-28-44-58)74(82-84,59-45-29-15-30-46-59)60-47-31-16-32-48-60/h9-52H,1-8H3
InChIKeyBYJOHLRBFVMXPE-UHFFFAOYSA-N
MW1147.30 g/mol
LogP19.05
Rot. Bonds15

About 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane

2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane (PubChem CID 58202655) has the molecular formula C74H68O8P2 and a molecular weight of 1147.30 g/mol. Its IUPAC name is 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
PubChem CID58202655
Molecular FormulaC74H68O8P2
Molecular Weight1147.30 g/mol
Exact Mass1146.44
IUPAC Name2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(C(C)(C)C)c1
InChIInChI=1S/C74H68O8P2/c1-69(2,3)65-51-61(75-7)49-63(67(65)77-83-79-71(53-33-17-9-18-34-53,54-35-19-10-20-36-54)72(80-83,55-37-21-11-22-38-55)56-39-23-12-24-40-56)64-50-62(76-8)52-66(70(4,5)6)68(64)78-84-81-73(57-41-25-13-26-42-57,58-43-27-14-28-44-58)74(82-84,59-45-29-15-30-46-59)60-47-31-16-32-48-60/h9-52H,1-8H3
InChIKeyBYJOHLRBFVMXPE-UHFFFAOYSA-N
XLogP19.05
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.30
LogP ≤ 519.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The IUPAC name of 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane (CID 58202655) is 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The canonical SMILES for 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(OP2OC(c3ccccc3)(c3ccccc3)C(c3ccccc3)(c3ccccc3)O2)c(C(C)(C)C)c1.
What is the InChIKey of 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
The InChIKey is BYJOHLRBFVMXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H68O8P2/c1-69(2,3)65-51-61(75-7)49-63(67(65)77-83-79-71(53-33-17-9-18-34-53,54-35-19-10-20-36-54)72(80-83,55-37-21-11-22-38-55)56-39-23-12-24-40-56)64-50-62(76-8)52-66(70(4,5)6)68(64)78-84-81-73(57-41-25-13-26-42-57,58-43-27-14-28-44-58)74(82-84,59-45-29-15-30-46-59)60-47-31-16-32-48-60/h9-52H,1-8H3.
What are the key properties of 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane?
2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane has a molecular weight of 1147.30 g/mol, XLogP of 19.05, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenoxy]-4,4,5,5-tetraphenyl-1,3,2-dioxaphospholane is sourced from PubChem (CID 58202655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).