[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane

C38H43O2P — CID 164886971

IUPAC[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)cc3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C38H43O2P/c1-39-30-24-20-28(21-25-30)34-17-11-18-35(29-22-26-31(40-2)27-23-29)38(34)36-16-9-10-19-37(36)41(32-12-5-3-6-13-32)33-14-7-4-8-15-33/h9-11,16-27,32-33H,3-8,12-15H2,1-2H3
InChIKeyYZKPNTCPAUTUGY-UHFFFAOYSA-N
MW562.73 g/mol
LogP10.48
Rot. Bonds8

About [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane

[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane (PubChem CID 164886971) has the molecular formula C38H43O2P and a molecular weight of 562.73 g/mol. Its IUPAC name is [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
PubChem CID164886971
Molecular FormulaC38H43O2P
Molecular Weight562.73 g/mol
Exact Mass562.30
IUPAC Name[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)cc3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C38H43O2P/c1-39-30-24-20-28(21-25-30)34-17-11-18-35(29-22-26-31(40-2)27-23-29)38(34)36-16-9-10-19-37(36)41(32-12-5-3-6-13-32)33-14-7-4-8-15-33/h9-11,16-27,32-33H,3-8,12-15H2,1-2H3
InChIKeyYZKPNTCPAUTUGY-UHFFFAOYSA-N
XLogP10.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.73
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The IUPAC name of [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane (CID 164886971) is [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane.
What is the SMILES notation for [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The canonical SMILES for [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane is COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The InChIKey is YZKPNTCPAUTUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43O2P/c1-39-30-24-20-28(21-25-30)34-17-11-18-35(29-22-26-31(40-2)27-23-29)38(34)36-16-9-10-19-37(36)41(32-12-5-3-6-13-32)33-14-7-4-8-15-33/h9-11,16-27,32-33H,3-8,12-15H2,1-2H3.
What are the key properties of [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane?
[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane has a molecular weight of 562.73 g/mol, XLogP of 10.48, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane is sourced from PubChem (CID 164886971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).