2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol

C41H37O5P — CID 166066960

IUPAC2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol
SMILESCOc1cccc(OC)c1-c1cccc(-c2c(OC)cccc2OC)c1-c1cccc(-c2ccccc2)c1Pc1cc(C)ccc1O
InChIInChI=1S/C41H37O5P/c1-26-23-24-32(42)37(25-26)47-41-28(27-13-7-6-8-14-27)15-9-18-31(41)38-29(39-33(43-2)19-11-20-34(39)44-3)16-10-17-30(38)40-35(45-4)21-12-22-36(40)46-5/h6-25,42,47H,1-5H3
InChIKeyNVEJGZZMKQIXPP-UHFFFAOYSA-N
MW640.72 g/mol
LogP9.03
Rot. Bonds10

About 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol

2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol (PubChem CID 166066960) has the molecular formula C41H37O5P and a molecular weight of 640.72 g/mol. Its IUPAC name is 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol.

Molecular Properties

Compound Name2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol
PubChem CID166066960
Molecular FormulaC41H37O5P
Molecular Weight640.72 g/mol
Exact Mass640.24
IUPAC Name2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol
SMILESCOc1cccc(OC)c1-c1cccc(-c2c(OC)cccc2OC)c1-c1cccc(-c2ccccc2)c1Pc1cc(C)ccc1O
InChIInChI=1S/C41H37O5P/c1-26-23-24-32(42)37(25-26)47-41-28(27-13-7-6-8-14-27)15-9-18-31(41)38-29(39-33(43-2)19-11-20-34(39)44-3)16-10-17-30(38)40-35(45-4)21-12-22-36(40)46-5/h6-25,42,47H,1-5H3
InChIKeyNVEJGZZMKQIXPP-UHFFFAOYSA-N
XLogP9.03
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.72
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxy-6-methylphenyl)-4-methylphenol
CID 165349659
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
2-[2-(methoxymethyl)-3-phenylphenyl]-4-methylphenol
CID 146449279
3-(2-methoxy-5-methylphenyl)phenol
CID 39243395
2-(4-methyl-2-phenylphenyl)phenol
CID 11368967
2-(2-fluorophenyl)benzene-1,3-diol;2-(2-fluorophenyl)-1,3-dimethoxybenzene
CID 159382015
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
4-(2,6-dimethoxyphenyl)-3-methylphenol
CID 116811421
2-(2,6-dimethoxyphenyl)-4-methylbenzaldehyde
CID 116810900
2-[3-[1-(2-methoxyphenyl)ethyl]phenyl]-6-phenylphenol
CID 58238588
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol?
The IUPAC name of 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol (CID 166066960) is 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol.
What is the SMILES notation for 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol?
The canonical SMILES for 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol is COc1cccc(OC)c1-c1cccc(-c2c(OC)cccc2OC)c1-c1cccc(-c2ccccc2)c1Pc1cc(C)ccc1O.
What is the InChIKey of 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol?
The InChIKey is NVEJGZZMKQIXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H37O5P/c1-26-23-24-32(42)37(25-26)47-41-28(27-13-7-6-8-14-27)15-9-18-31(41)38-29(39-33(43-2)19-11-20-34(39)44-3)16-10-17-30(38)40-35(45-4)21-12-22-36(40)46-5/h6-25,42,47H,1-5H3.
What are the key properties of 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol?
2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol has a molecular weight of 640.72 g/mol, XLogP of 9.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,6-bis(2,6-dimethoxyphenyl)phenyl]-6-phenylphenyl]phosphanyl-4-methylphenol is sourced from PubChem (CID 166066960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).