cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane

C40H48O2P2 — CID 173314548

IUPACcyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane
SMILESCOc1cc(-c2ccc(C)cc2)cc(Pc2ccc(C)cc2)c1-c1c(OC)cc(C2CCCCC2)cc1PC1CCCCC1
InChIInChI=1S/C40H48O2P2/c1-27-15-19-30(20-16-27)32-24-36(42-4)40(38(26-32)44-34-21-17-28(2)18-22-34)39-35(41-3)23-31(29-11-7-5-8-12-29)25-37(39)43-33-13-9-6-10-14-33/h15-26,29,33,43-44H,5-14H2,1-4H3
InChIKeyTYGWTNMNJQBMLV-UHFFFAOYSA-N
MW622.77 g/mol
LogP9.97
Rot. Bonds9

About cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane

cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane (PubChem CID 173314548) has the molecular formula C40H48O2P2 and a molecular weight of 622.77 g/mol. Its IUPAC name is cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane.

Molecular Properties

Compound Namecyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane
PubChem CID173314548
Molecular FormulaC40H48O2P2
Molecular Weight622.77 g/mol
Exact Mass622.31
IUPAC Namecyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane
SMILESCOc1cc(-c2ccc(C)cc2)cc(Pc2ccc(C)cc2)c1-c1c(OC)cc(C2CCCCC2)cc1PC1CCCCC1
InChIInChI=1S/C40H48O2P2/c1-27-15-19-30(20-16-27)32-24-36(42-4)40(38(26-32)44-34-21-17-28(2)18-22-34)39-35(41-3)23-31(29-11-7-5-8-12-29)25-37(39)43-33-13-9-6-10-14-33/h15-26,29,33,43-44H,5-14H2,1-4H3
InChIKeyTYGWTNMNJQBMLV-UHFFFAOYSA-N
XLogP9.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.77
LogP ≤ 59.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane with MolForge

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Related Compounds

cyclohexyl-(4-methylphenyl)phosphane
CID 21096698
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-cyclohexyl-4-methylbenzene;methoxymethane
CID 143168317
1-tert-butyl-3-(3-tert-butyl-5-methylphenyl)-5-methylbenzene;1-tert-butyl-3,5-dimethylbenzene;1-tert-butyl-3-methyl-5-(4-methylphenyl)benzene;1-cyclohexyl-3,5-dimethylbenzene;1-(3,5-dimethylphenyl)-3,5-dimethylbenzene
CID 158803198
3-cyclohexyl-N-(cyclopropylmethyl)-5-(4-methylphenyl)benzamide
CID 58449390
cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane
CID 67507588
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
8-(4-cyclopentyl-2,6-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridine
CID 172595611
1-cyclohexyl-4-methylbenzene;toluene
CID 143243711
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-[5-(4-cyclobutylphenyl)-2-methoxyphenyl]-N-methylmethanamine
CID 116506606
1-cyclohexyl-3-(5-methyl-4-methylidenehexyl)-5-(4-methylphenyl)benzene
CID 123959036

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane?
The IUPAC name of cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane (CID 173314548) is cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane.
What is the SMILES notation for cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane?
The canonical SMILES for cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane is COc1cc(-c2ccc(C)cc2)cc(Pc2ccc(C)cc2)c1-c1c(OC)cc(C2CCCCC2)cc1PC1CCCCC1.
What is the InChIKey of cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane?
The InChIKey is TYGWTNMNJQBMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H48O2P2/c1-27-15-19-30(20-16-27)32-24-36(42-4)40(38(26-32)44-34-21-17-28(2)18-22-34)39-35(41-3)23-31(29-11-7-5-8-12-29)25-37(39)43-33-13-9-6-10-14-33/h15-26,29,33,43-44H,5-14H2,1-4H3.
What are the key properties of cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane?
cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane has a molecular weight of 622.77 g/mol, XLogP of 9.97, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[5-cyclohexyl-3-methoxy-2-[2-methoxy-4-(4-methylphenyl)-6-(4-methylphenyl)phosphanylphenyl]phenyl]phosphane is sourced from PubChem (CID 173314548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).