[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane

C42H40O6P2 — CID 11490978

IUPAC[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
SMILESCOc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C42H40O6P2/c1-43-33-27-35(49(29-19-11-7-12-20-29)30-21-13-8-14-22-30)37(41(47-5)39(33)45-3)38-36(28-34(44-2)40(46-4)42(38)48-6)50(31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-28H,1-6H3
InChIKeyIYTHLSFAUKKSGJ-UHFFFAOYSA-N
MW702.72 g/mol
LogP6.92
Rot. Bonds13

About [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane

[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane (PubChem CID 11490978) has the molecular formula C42H40O6P2 and a molecular weight of 702.72 g/mol. Its IUPAC name is [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
PubChem CID11490978
Molecular FormulaC42H40O6P2
Molecular Weight702.72 g/mol
Exact Mass702.23
IUPAC Name[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
SMILESCOc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(OC)c(OC)c2OC)c(OC)c1OC
InChIInChI=1S/C42H40O6P2/c1-43-33-27-35(49(29-19-11-7-12-20-29)30-21-13-8-14-22-30)37(41(47-5)39(33)45-3)38-36(28-34(44-2)40(46-4)42(38)48-6)50(31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-28H,1-6H3
InChIKeyIYTHLSFAUKKSGJ-UHFFFAOYSA-N
XLogP6.92
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.72
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
CID 134828499
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257
[5-(3,4-dimethoxyphenyl)-1-[5-(3,4-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
CID 160884923
[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane
CID 11006296
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
[2-[2-[(E)-but-2-en-2-yl]-4-methoxynaphthalen-1-yl]phenyl]-diphenylphosphane
CID 175500352
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
phenyl-[3,4,5-trimethoxy-2-(2,3,4-trimethoxy-6-phenylphosphanylphenyl)phenyl]phosphane
CID 20730418
5-(bromomethyl)-2-methoxy-1,3-dimethylbenzene;triphenylphosphane
CID 122359838
2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
CID 12977583
[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]-diphenylphosphane
CID 10282339

Frequently Asked Questions

What is the IUPAC name of [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane?
The IUPAC name of [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane (CID 11490978) is [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane?
The canonical SMILES for [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane is COc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(c3ccccc3)c3ccccc3)cc(OC)c(OC)c2OC)c(OC)c1OC.
What is the InChIKey of [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane?
The InChIKey is IYTHLSFAUKKSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H40O6P2/c1-43-33-27-35(49(29-19-11-7-12-20-29)30-21-13-8-14-22-30)37(41(47-5)39(33)45-3)38-36(28-34(44-2)40(46-4)42(38)48-6)50(31-23-15-9-16-24-31)32-25-17-10-18-26-32/h7-28H,1-6H3.
What are the key properties of [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane?
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane has a molecular weight of 702.72 g/mol, XLogP of 6.92, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane is sourced from PubChem (CID 11490978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).