[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane

C22H23P — CID 160800669

IUPAC[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane
SMILESCc1cc(C)c(-c2ccc(-c3ccc(P)c(C)c3)cc2)cc1C
InChIInChI=1S/C22H23P/c1-14-11-16(3)21(13-15(14)2)19-7-5-18(6-8-19)20-9-10-22(23)17(4)12-20/h5-13H,23H2,1-4H3
InChIKeyOTVISJPVFOMYMS-UHFFFAOYSA-N
MW318.40 g/mol
LogP5.75
Rot. Bonds2

About [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane

[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane (PubChem CID 160800669) has the molecular formula C22H23P and a molecular weight of 318.40 g/mol. Its IUPAC name is [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane
PubChem CID160800669
Molecular FormulaC22H23P
Molecular Weight318.40 g/mol
Exact Mass318.15
IUPAC Name[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane
SMILESCc1cc(C)c(-c2ccc(-c3ccc(P)c(C)c3)cc2)cc1C
InChIInChI=1S/C22H23P/c1-14-11-16(3)21(13-15(14)2)19-7-5-18(6-8-19)20-9-10-22(23)17(4)12-20/h5-13H,23H2,1-4H3
InChIKeyOTVISJPVFOMYMS-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.40
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;bis([4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane);bis([4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane);[4-[4-(2,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[3-methyl-4-[4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane
CID 159989978
bis([4-(3,4-dimethylphenyl)-2-methylphenyl]phosphane);[4-(3,4-dimethylphenyl)-3-methylphenyl]phosphane;[4-(3,5-dimethylphenyl)-2-methylphenyl]phosphane;[4-(3,5-dimethylphenyl)-3-methylphenyl]phosphane;[4-(2,4-dimethylphenyl)phenyl]phosphane;[4-(3,4-dimethylphenyl)phenyl]phosphane;[2-methyl-4-[2-methyl-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-(3-methyl-4-phosphanylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-(4-phosphanylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-phosphanylphenyl)phenyl]phenyl]phosphane
CID 158094684
[4-[2-methyl-5-(4-phosphanylphenyl)phenyl]phenyl]phosphane
CID 126518534
[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-[3-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[2-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 158779999
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
[4-[4-(3,4-dimethylphenyl)-3-methylphenyl]phenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]phosphane;[4-[2-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[4-[3-methyl-4-(4-methylphenyl)phenyl]phenyl]phosphane;[2-methyl-4-[4-[3-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[2-methyl-4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[2-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane;[3-methyl-4-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 158130449
N-methyl-1-[4-(2,4,5-trimethylphenyl)phenyl]methanamine
CID 64985369
[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-2-methylphenyl]-2-methylphenyl]phosphane;bis([4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]-2-methylphenyl]phosphane);[4-[4-[3,4-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,5-bis(phosphanylmethyl)phenyl]-3-methylphenyl]phenyl]phosphane;[4-[4-[3,4-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane;[4-[4-(2,4-dimethylphenyl)phenyl]-3-methylphenyl]phosphane;[2-methyl-4-[4-[2-methyl-4,5-bis(phosphanylmethyl)phenyl]phenyl]phenyl]phosphane
CID 161047242
[4-[3-[3,5-bis(phosphanylmethyl)phenyl]phenyl]-2-methylphenyl]phosphane
CID 129088140
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane?
The IUPAC name of [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane (CID 160800669) is [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane.
What is the SMILES notation for [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane?
The canonical SMILES for [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane is Cc1cc(C)c(-c2ccc(-c3ccc(P)c(C)c3)cc2)cc1C.
What is the InChIKey of [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane?
The InChIKey is OTVISJPVFOMYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23P/c1-14-11-16(3)21(13-15(14)2)19-7-5-18(6-8-19)20-9-10-22(23)17(4)12-20/h5-13H,23H2,1-4H3.
What are the key properties of [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane?
[2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane has a molecular weight of 318.40 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[4-(2,4,5-trimethylphenyl)phenyl]phenyl]phosphane is sourced from PubChem (CID 160800669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).