[4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane

C28H35P — CID 134984575

IUPAC[4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane
SMILESCc1cc(C)c(-c2cc(C(C)(C)C)cc(-c3c(C)cc(C)cc3C)c2P)c(C)c1
InChIInChI=1S/C28H35P/c1-16-10-18(3)25(19(4)11-16)23-14-22(28(7,8)9)15-24(27(23)29)26-20(5)12-17(2)13-21(26)6/h10-15H,29H2,1-9H3
InChIKeyNYIVDVICNMTDRA-UHFFFAOYSA-N
MW402.56 g/mol
LogP7.67
Rot. Bonds2

About [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane

[4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane (PubChem CID 134984575) has the molecular formula C28H35P and a molecular weight of 402.56 g/mol. Its IUPAC name is [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane.

Molecular Properties

Compound Name[4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane
PubChem CID134984575
Molecular FormulaC28H35P
Molecular Weight402.56 g/mol
Exact Mass402.25
IUPAC Name[4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane
SMILESCc1cc(C)c(-c2cc(C(C)(C)C)cc(-c3c(C)cc(C)cc3C)c2P)c(C)c1
InChIInChI=1S/C28H35P/c1-16-10-18(3)25(19(4)11-16)23-14-22(28(7,8)9)15-24(27(23)29)26-20(5)12-17(2)13-21(26)6/h10-15H,29H2,1-9H3
InChIKeyNYIVDVICNMTDRA-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.56
LogP ≤ 57.67
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

2,3-bis(4-tert-butyl-2,6-dimethylphenyl)cycloprop-2-en-1-one
CID 164518953
4-tert-butyl-2-[[(2S)-2-[[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]methylsulfanyl]cyclooctyl]sulfanylmethyl]-6-(2,4,6-trimethylphenyl)phenol
CID 71261334
2,4,6-tritert-butylaniline;2,4,6-trimethylaniline
CID 67732973
5-(2,4,6-trimethylphenyl)benzene-1,2,4-triol
CID 101299568
1,3,6,8-tetrakis(2,4,6-trimethylphenyl)pyrene
CID 59575113
1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
4-tert-butyl-2-[2-[2-[[2-[5-tert-butyl-2-hydroxy-3-(2,4,6-trimethylphenyl)phenyl]phenoxy]methyl]-3-methylbutoxy]phenyl]-6-(2,4,6-trimethylphenyl)phenol
CID 59411949
1-N-[5-bromo-2-(2,4,6-trimethylphenyl)phenyl]-3,5-ditert-butyl-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176781916
CID 137158148
CID 137158148
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
1-tert-butyl-3-methyl-5-(trideuteriomethyl)benzene
CID 165028726

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane?
The IUPAC name of [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane (CID 134984575) is [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane.
What is the SMILES notation for [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane?
The canonical SMILES for [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane is Cc1cc(C)c(-c2cc(C(C)(C)C)cc(-c3c(C)cc(C)cc3C)c2P)c(C)c1.
What is the InChIKey of [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane?
The InChIKey is NYIVDVICNMTDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35P/c1-16-10-18(3)25(19(4)11-16)23-14-22(28(7,8)9)15-24(27(23)29)26-20(5)12-17(2)13-21(26)6/h10-15H,29H2,1-9H3.
What are the key properties of [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane?
[4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane has a molecular weight of 402.56 g/mol, XLogP of 7.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2,6-bis(2,4,6-trimethylphenyl)phenyl]phosphane is sourced from PubChem (CID 134984575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).