[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane

C38H34O2P2S — CID 134828499

IUPAC[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
SMILESCOc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1P(c1ccccc1)c1ccccc1.S
InChIInChI=1S/C38H32O2P2.H2S/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;/h3-28H,1-2H3;1H2
InChIKeyWXYRSZXESRYPFX-UHFFFAOYSA-N
MW616.70 g/mol
LogP7.00
Rot. Bonds9

About [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane

[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane (PubChem CID 134828499) has the molecular formula C38H34O2P2S and a molecular weight of 616.70 g/mol. Its IUPAC name is [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane.

Molecular Properties

Compound Name[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
PubChem CID134828499
Molecular FormulaC38H34O2P2S
Molecular Weight616.70 g/mol
Exact Mass616.18
IUPAC Name[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane
SMILESCOc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1P(c1ccccc1)c1ccccc1.S
InChIInChI=1S/C38H32O2P2.H2S/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;/h3-28H,1-2H3;1H2
InChIKeyWXYRSZXESRYPFX-UHFFFAOYSA-N
XLogP7.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.70
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;ruthenium
CID 10865680
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
[2-(2,6-dimethoxyphenyl)phenyl]-methyl-phenylphosphane
CID 71713664
[2-(6-diphenylphosphanyl-2,3,4-trimethoxyphenyl)-3,4,5-trimethoxyphenyl]-diphenylphosphane
CID 11490978
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]-(4-methoxyphenyl)-phenylphosphane
CID 177405371
[4-(3-methoxyphenanthren-4-yl)phenanthren-3-yl]-diphenylphosphane
CID 11006296
[2-[2-bis(3,5-ditert-butylphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-ditert-butylphenyl)phosphane;dichlororuthenium;(1R,2R)-1,2-diphenylethane-1,2-diamine
CID 25209234
4-[[2-[2-bis(3,4,5-trimethoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-(3,4,5-trimethoxyphenyl)phosphanyl]-2,6-dimethoxybenzaldehyde
CID 146519174
2-[(2,6-dimethoxyphenyl)-phenylphosphanyl]-3-methoxyphenol
CID 12977583
[2-[2-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl-6-methoxyphenyl]-3-methoxyphenyl]-bis(3,5-ditert-butyl-4-methoxyphenyl)phosphane;dichloroplatinum
CID 11378382
[3-chloro-2-(2-chloro-6-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
CID 22415599
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane?
The IUPAC name of [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane (CID 134828499) is [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane.
What is the SMILES notation for [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane?
The canonical SMILES for [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane is COc1cccc(P(c2ccccc2)c2ccccc2)c1-c1c(OC)cccc1P(c1ccccc1)c1ccccc1.S.
What is the InChIKey of [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane?
The InChIKey is WXYRSZXESRYPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O2P2.H2S/c1-39-33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)38-34(40-2)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;/h3-28H,1-2H3;1H2.
What are the key properties of [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane?
[2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane has a molecular weight of 616.70 g/mol, XLogP of 7.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanyl-6-methoxyphenyl)-3-methoxyphenyl]-diphenylphosphane;sulfane is sourced from PubChem (CID 134828499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).