dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane

C50H64O4P2 — CID 20606210

IUPACdicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane
SMILESCOc1ccc(-c2ccccc2)c(OP(C2CCCCC2)C2CCCCC2)c1-c1c(OC)ccc(-c2ccccc2)c1OP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C50H64O4P2/c1-51-45-35-33-43(37-21-9-3-10-22-37)49(53-55(39-25-13-5-14-26-39)40-27-15-6-16-28-40)47(45)48-46(52-2)36-34-44(38-23-11-4-12-24-38)50(48)54-56(41-29-17-7-18-30-41)42-31-19-8-20-32-42/h3-4,9-12,21-24,33-36,39-42H,5-8,13-20,25-32H2,1-2H3
InChIKeyYUBMOTCLCXIWEL-UHFFFAOYSA-N
MW791.01 g/mol
LogP15.59
Rot. Bonds13

About dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane

dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane (PubChem CID 20606210) has the molecular formula C50H64O4P2 and a molecular weight of 791.01 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane
PubChem CID20606210
Molecular FormulaC50H64O4P2
Molecular Weight791.01 g/mol
Exact Mass790.43
IUPAC Namedicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane
SMILESCOc1ccc(-c2ccccc2)c(OP(C2CCCCC2)C2CCCCC2)c1-c1c(OC)ccc(-c2ccccc2)c1OP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C50H64O4P2/c1-51-45-35-33-43(37-21-9-3-10-22-37)49(53-55(39-25-13-5-14-26-39)40-27-15-6-16-28-40)47(45)48-46(52-2)36-34-44(38-23-11-4-12-24-38)50(48)54-56(41-29-17-7-18-30-41)42-31-19-8-20-32-42/h3-4,9-12,21-24,33-36,39-42H,5-8,13-20,25-32H2,1-2H3
InChIKeyYUBMOTCLCXIWEL-UHFFFAOYSA-N
XLogP15.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.01
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexylphosphanyl 2,4-dimethoxy-3-phenylbenzenesulfonate
CID 88920864
adamantane;tris(1,2,3-trimethoxy-4-phenylbenzene)
CID 175349946
cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane
CID 67507588
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
[4-(3-dicyclohexylphosphanyl-2,4-dimethoxyphenyl)-3-(hydroxymethyl)naphthalen-1-yl]methanol
CID 134464404
CID 69466165
CID 69466165
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]-phenylphosphanium
CID 146458339
cyclohexyl-bis(2-methoxyphenyl)phosphane
CID 101492497
dicyclohexyl-[2-(2,5-diphenylpyrrol-1-yl)-6-methoxyphenyl]phosphane
CID 118474964
[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 164886971
2,6-dimethoxy-3-phenylbenzoic acid
CID 68897922

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane (CID 20606210) is dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane is COc1ccc(-c2ccccc2)c(OP(C2CCCCC2)C2CCCCC2)c1-c1c(OC)ccc(-c2ccccc2)c1OP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane?
The InChIKey is YUBMOTCLCXIWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H64O4P2/c1-51-45-35-33-43(37-21-9-3-10-22-37)49(53-55(39-25-13-5-14-26-39)40-27-15-6-16-28-40)47(45)48-46(52-2)36-34-44(38-23-11-4-12-24-38)50(48)54-56(41-29-17-7-18-30-41)42-31-19-8-20-32-42/h3-4,9-12,21-24,33-36,39-42H,5-8,13-20,25-32H2,1-2H3.
What are the key properties of dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane?
dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane has a molecular weight of 791.01 g/mol, XLogP of 15.59, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-dicyclohexylphosphanyloxy-6-methoxy-3-phenylphenyl)-3-methoxy-6-phenylphenoxy]phosphane is sourced from PubChem (CID 20606210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).