[1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite

C49H42O10P2S — CID 58640400

IUPAC[1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite
SMILESCOc1ccccc1OP(Oc1ccccc1OC)Oc1ccc2ccccc2c1Sc1c(OP(Oc2ccccc2OC)Oc2ccccc2OC)c(C)cc2ccccc12
InChIInChI=1S/C49H42O10P2S/c1-33-32-35-19-7-9-21-37(35)49(47(33)59-61(56-44-28-16-12-24-40(44)52-4)57-45-29-17-13-25-41(45)53-5)62-48-36-20-8-6-18-34(36)30-31-46(48)58-60(54-42-26-14-10-22-38(42)50-2)55-43-27-15-11-23-39(43)51-3/h6-32H,1-5H3
InChIKeyCXFYGGDMOAHHRQ-UHFFFAOYSA-N
MW884.88 g/mol
LogP14.01
Rot. Bonds18

About [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite

[1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite (PubChem CID 58640400) has the molecular formula C49H42O10P2S and a molecular weight of 884.88 g/mol. Its IUPAC name is [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite.

Molecular Properties

Compound Name[1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite
PubChem CID58640400
Molecular FormulaC49H42O10P2S
Molecular Weight884.88 g/mol
Exact Mass884.20
IUPAC Name[1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite
SMILESCOc1ccccc1OP(Oc1ccccc1OC)Oc1ccc2ccccc2c1Sc1c(OP(Oc2ccccc2OC)Oc2ccccc2OC)c(C)cc2ccccc12
InChIInChI=1S/C49H42O10P2S/c1-33-32-35-19-7-9-21-37(35)49(47(33)59-61(56-44-28-16-12-24-40(44)52-4)57-45-29-17-13-25-41(45)53-5)62-48-36-20-8-6-18-34(36)30-31-46(48)58-60(54-42-26-14-10-22-38(42)50-2)55-43-27-15-11-23-39(43)51-3/h6-32H,1-5H3
InChIKeyCXFYGGDMOAHHRQ-UHFFFAOYSA-N
XLogP14.01
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500884.88
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

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3,9,10-Trimethoxy-7-methylsulfanyl-5,6-dihydrobenzo[a]anthracene
CID 15423956
6,7-Dimethoxy-1-methylsulfanyl-3-phenylnaphthalene
CID 100948802
Disulfanyl-phenyl-sulfanyl-(2,3,6,7-tetramethoxytetracen-1-yl)-lambda4-sulfane
CID 17804345
2,3-Dimethoxyanthracene-1-sulfonate;triphenylsulfanium
CID 18172625
(2,4-Ditert-butylphenoxy)-[1-[2-(2,4-ditert-butylphenoxy)phosphanyloxynaphthalen-1-yl]sulfanylnaphthalen-2-yl]oxyphosphane
CID 20688081
[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
[1-[2-Bis(2-methoxyphenoxy)phosphanyloxynaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite
CID 57679447
[1-(2-Dinaphthalen-1-yloxyphosphanyloxynaphthalen-1-yl)sulfanylnaphthalen-2-yl] dinaphthalen-1-yl phosphite
CID 57679455
[1-[2-Bis(2-formylphenoxy)phosphanyloxynaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite
CID 57679459
[2-[2-Bis(2-methoxyphenoxy)phosphanyloxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfonyl-4-(2,4,4-trimethylpentan-2-yl)phenyl] bis(2-methoxyphenyl) phosphite
CID 58640363

Frequently Asked Questions

What is the IUPAC name of [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite?
The IUPAC name of [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite (CID 58640400) is [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite.
What is the SMILES notation for [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite?
The canonical SMILES for [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite is COc1ccccc1OP(Oc1ccccc1OC)Oc1ccc2ccccc2c1Sc1c(OP(Oc2ccccc2OC)Oc2ccccc2OC)c(C)cc2ccccc12.
What is the InChIKey of [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite?
The InChIKey is CXFYGGDMOAHHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42O10P2S/c1-33-32-35-19-7-9-21-37(35)49(47(33)59-61(56-44-28-16-12-24-40(44)52-4)57-45-29-17-13-25-41(45)53-5)62-48-36-20-8-6-18-34(36)30-31-46(48)58-60(54-42-26-14-10-22-38(42)50-2)55-43-27-15-11-23-39(43)51-3/h6-32H,1-5H3.
What are the key properties of [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite?
[1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite has a molecular weight of 884.88 g/mol, XLogP of 14.01, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis(2-methoxyphenoxy)phosphanyloxy-3-methylnaphthalen-1-yl]sulfanylnaphthalen-2-yl] bis(2-methoxyphenyl) phosphite is sourced from PubChem (CID 58640400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).