[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite

C70H64O8P2 — CID 140827254

IUPAC[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C70H64O8P2/c1-69(2,3)65-47-61(71-7)45-63(67(65)77-79(73-57-37-29-53(30-38-57)49-21-13-9-14-22-49)74-58-39-31-54(32-40-58)50-23-15-10-16-24-50)64-46-62(72-8)48-66(70(4,5)6)68(64)78-80(75-59-41-33-55(34-42-59)51-25-17-11-18-26-51)76-60-43-35-56(36-44-60)52-27-19-12-20-28-52/h9-48H,1-8H3
InChIKeyHEUCANFTPORBQT-UHFFFAOYSA-N
MW1095.22 g/mol
LogP20.16
Rot. Bonds19

About [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite

[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite (PubChem CID 140827254) has the molecular formula C70H64O8P2 and a molecular weight of 1095.22 g/mol. Its IUPAC name is [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite
PubChem CID140827254
Molecular FormulaC70H64O8P2
Molecular Weight1095.22 g/mol
Exact Mass1094.41
IUPAC Name[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite
SMILESCOc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1
InChIInChI=1S/C70H64O8P2/c1-69(2,3)65-47-61(71-7)45-63(67(65)77-79(73-57-37-29-53(30-38-57)49-21-13-9-14-22-49)74-58-39-31-54(32-40-58)50-23-15-10-16-24-50)64-46-62(72-8)48-66(70(4,5)6)68(64)78-80(75-59-41-33-55(34-42-59)51-25-17-11-18-26-51)76-60-43-35-56(36-44-60)52-27-19-12-20-28-52/h9-48H,1-8H3
InChIKeyHEUCANFTPORBQT-UHFFFAOYSA-N
XLogP20.16
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001095.22
LogP ≤ 520.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3,5-ditert-butylphenyl]-4,6-ditert-butylphenyl] bis(4-phenylphenyl) phosphite
CID 140827255
(2,6-ditert-butylphenyl) diphenyl phosphite
CID 86014872
[2-tert-butyl-6-[3-tert-butyl-5-methoxy-2-[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy]phenyl]-4-methoxyphenyl] dinaphthalen-1-yl phosphite
CID 165162014
[2-[2-bis(2,4-ditert-butylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] tert-butyl carbonate
CID 118527861
(4-methoxyphenyl) bis(3,6,8-tritert-butylnaphthalen-2-yl) phosphite
CID 19087227
[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenyl] dimethyl phosphite
CID 15123647
(4-tert-butylphenyl) diphenyl phosphite
CID 19796180
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
[2-[2-bis(2,4-dimethylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] tert-butyl carbonate
CID 118527911
[2-tert-butyl-6-[[3-tert-butyl-2-[4,8-ditert-butyl-2,10-bis(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-6-yl]oxy-5-methoxyphenyl]methyl]-4-methoxyphenyl] diphenyl phosphite
CID 89365092
2-(bromomethyl)-1-[2-(bromomethyl)-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)phenyl]-5-tert-butyl-4-methoxy-3-(4-phenylphenyl)benzene
CID 101253495

Frequently Asked Questions

What is the IUPAC name of [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite?
The IUPAC name of [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite (CID 140827254) is [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite.
What is the SMILES notation for [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite?
The canonical SMILES for [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite is COc1cc(-c2cc(OC)cc(C(C)(C)C)c2OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(OP(Oc2ccc(-c3ccccc3)cc2)Oc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1.
What is the InChIKey of [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite?
The InChIKey is HEUCANFTPORBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H64O8P2/c1-69(2,3)65-47-61(71-7)45-63(67(65)77-79(73-57-37-29-53(30-38-57)49-21-13-9-14-22-49)74-58-39-31-54(32-40-58)50-23-15-10-16-24-50)64-46-62(72-8)48-66(70(4,5)6)68(64)78-80(75-59-41-33-55(34-42-59)51-25-17-11-18-26-51)76-60-43-35-56(36-44-60)52-27-19-12-20-28-52/h9-48H,1-8H3.
What are the key properties of [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite?
[2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite has a molecular weight of 1095.22 g/mol, XLogP of 20.16, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-bis(4-phenylphenoxy)phosphanyloxy-3-tert-butyl-5-methoxyphenyl]-6-tert-butyl-4-methoxyphenyl] bis(4-phenylphenyl) phosphite is sourced from PubChem (CID 140827254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).