[2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite

C57H62O8P2 — CID 54429882

IUPAC[2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite
SMILESCOc1cc(C)cc(Cc2cc(C)cc(OC)c2OP(Oc2cccc3c2CCCC3)Oc2cccc3c2CCCC3)c1OP(Oc1cccc2c1CCCC2)Oc1cccc2c1CCCC2
InChIInChI=1S/C57H62O8P2/c1-38-33-44(56(54(35-38)58-3)64-66(60-50-29-13-21-40-17-5-9-25-46(40)50)61-51-30-14-22-41-18-6-10-26-47(41)51)37-45-34-39(2)36-55(59-4)57(45)65-67(62-52-31-15-23-42-19-7-11-27-48(42)52)63-53-32-16-24-43-20-8-12-28-49(43)53/h13-16,21-24,29-36H,5-12,17-20,25-28,37H2,1-4H3
InChIKeyWGSLITPRIUIHIQ-UHFFFAOYSA-N
MW937.06 g/mol
LogP14.95
Rot. Bonds16

About [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite

[2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite (PubChem CID 54429882) has the molecular formula C57H62O8P2 and a molecular weight of 937.06 g/mol. Its IUPAC name is [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite.

Molecular Properties

Compound Name[2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite
PubChem CID54429882
Molecular FormulaC57H62O8P2
Molecular Weight937.06 g/mol
Exact Mass936.39
IUPAC Name[2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite
SMILESCOc1cc(C)cc(Cc2cc(C)cc(OC)c2OP(Oc2cccc3c2CCCC3)Oc2cccc3c2CCCC3)c1OP(Oc1cccc2c1CCCC2)Oc1cccc2c1CCCC2
InChIInChI=1S/C57H62O8P2/c1-38-33-44(56(54(35-38)58-3)64-66(60-50-29-13-21-40-17-5-9-25-46(40)50)61-51-30-14-22-41-18-6-10-26-47(41)51)37-45-34-39(2)36-55(59-4)57(45)65-67(62-52-31-15-23-42-19-7-11-27-48(42)52)63-53-32-16-24-43-20-8-12-28-49(43)53/h13-16,21-24,29-36H,5-12,17-20,25-28,37H2,1-4H3
InChIKeyWGSLITPRIUIHIQ-UHFFFAOYSA-N
XLogP14.95
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500937.06
LogP ≤ 514.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite with MolForge

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Related Compounds

2-Methoxy-1-[(2-methoxynaphthalen-1-yl)methyl]naphthalene
CID 96091
1-(2,7-Dihydroxy-3,4-dimethoxy-9,10-dihydrophenanthren-1-yl)-3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
CID 134139861
1-(2-Hydroxy-3,4,7-trimethoxy-9,10-dihydrophenanthren-1-yl)-3,4,7-trimethoxy-9,10-dihydrophenanthren-2-ol
CID 24762427
3,3'-Dimethoxy[1,1'-binaphthalene]-2,2'-diol
CID 316671
(2'-Methoxy-1,1'-binaphthalen-2-yl)(diphenyl)phosphine
CID 4190002
Dimethoxybenzo(a)pyrene
CID 85703665
2-[2,3,4-Trimethoxy-6-[1-(4-methoxyphenyl)ethenyl]phenyl]naphthalene
CID 71574800
6-(2-methoxyphenyl)-8,9-bis(phenylmethoxy)-6H-benzo[c]chromene
CID 162647017
1-[(Z)-2-(4-fluorophenyl)-1-(2,3,4-trimethoxyphenyl)ethenyl]naphthalene
CID 162653122
1-[1-(2,3,4-Trimethoxyphenyl)ethenyl]naphthalene
CID 162668338
1-[(E)-2-(4-methylphenyl)-1-(2,3,4-trimethoxyphenyl)ethenyl]naphthalene
CID 162671382
(11bR)-4-Hydroxy-2,6-bis(4-methoxyphenyl)dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-oxide
CID 12151053

Frequently Asked Questions

What is the IUPAC name of [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite?
The IUPAC name of [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite (CID 54429882) is [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite.
What is the SMILES notation for [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite?
The canonical SMILES for [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite is COc1cc(C)cc(Cc2cc(C)cc(OC)c2OP(Oc2cccc3c2CCCC3)Oc2cccc3c2CCCC3)c1OP(Oc1cccc2c1CCCC2)Oc1cccc2c1CCCC2.
What is the InChIKey of [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite?
The InChIKey is WGSLITPRIUIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H62O8P2/c1-38-33-44(56(54(35-38)58-3)64-66(60-50-29-13-21-40-17-5-9-25-46(40)50)61-51-30-14-22-41-18-6-10-26-47(41)51)37-45-34-39(2)36-55(59-4)57(45)65-67(62-52-31-15-23-42-19-7-11-27-48(42)52)63-53-32-16-24-43-20-8-12-28-49(43)53/h13-16,21-24,29-36H,5-12,17-20,25-28,37H2,1-4H3.
What are the key properties of [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite?
[2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite has a molecular weight of 937.06 g/mol, XLogP of 14.95, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-[bis(5,6,7,8-tetrahydronaphthalen-1-yloxy)phosphanyloxy]-3-methoxy-5-methylphenyl]methyl]-6-methoxy-4-methylphenyl] bis(5,6,7,8-tetrahydronaphthalen-1-yl) phosphite is sourced from PubChem (CID 54429882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).