chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane

C33H52ClP — CID 546782

IUPACchloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(P(Cl)c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C33H52ClP/c1-20(2)23-16-25(21(3)4)29(26(17-23)22(5)6)35(34)30-27(32(10,11)12)18-24(31(7,8)9)19-28(30)33(13,14)15/h16-22H,1-15H3
InChIKeyJLZLSKYSHGJYRM-UHFFFAOYSA-N
MW515.21 g/mol
LogP10.54
Rot. Bonds5

About chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane

chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane (PubChem CID 546782) has the molecular formula C33H52ClP and a molecular weight of 515.21 g/mol. Its IUPAC name is chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Namechloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane
PubChem CID546782
Molecular FormulaC33H52ClP
Molecular Weight515.21 g/mol
Exact Mass514.35
IUPAC Namechloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane
SMILESCC(C)c1cc(C(C)C)c(P(Cl)c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)C)c1
InChIInChI=1S/C33H52ClP/c1-20(2)23-16-25(21(3)4)29(26(17-23)22(5)6)35(34)30-27(32(10,11)12)18-24(31(7,8)9)19-28(30)33(13,14)15/h16-22H,1-15H3
InChIKeyJLZLSKYSHGJYRM-UHFFFAOYSA-N
XLogP10.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.21
LogP ≤ 510.54
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

2,4,6-tritert-butyl-N-[methoxy-[2,4,6-tri(propan-2-yl)phenyl]phosphinothioyl]aniline
CID 2830102
chloro-ethenyl-(2,4,6-tritert-butylphenyl)phosphane
CID 14494179
2,4-ditert-butyl-1-methylbenzene;2,5-dimethyl-1,3-di(propan-2-yl)benzene;2-methyl-1,3,5-tri(propan-2-yl)benzene;1,4-xylene
CID 161236987
CID 177441876
CID 177441876
bis(2,4-ditert-butyl-6-propan-2-ylphenol);hydrazine
CID 174939437
ditert-butyl-(2,4,6-tritert-butylphenyl)borane
CID 164988762
1-tert-butyl-3-ethoxy-5-propan-2-ylbenzene
CID 155760642
[2,4,6-tri(propan-2-yl)phenyl]phosphane
CID 609106
[2,4,6-tri(propan-2-yl)phenyl]borane
CID 14976181
2-tert-butyl-1-chloro-4-propan-2-ylbenzene
CID 59135167
[2,4,6-tri(propan-2-yl)phenyl]tellanyllithium
CID 134893243
[2,6-bis(2,4,6-tritert-butylphenyl)phenyl]-dichlorophosphane
CID 101225089

Frequently Asked Questions

What is the IUPAC name of chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The IUPAC name of chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane (CID 546782) is chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane.
What is the SMILES notation for chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The canonical SMILES for chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane is CC(C)c1cc(C(C)C)c(P(Cl)c2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)c(C(C)C)c1.
What is the InChIKey of chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane?
The InChIKey is JLZLSKYSHGJYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H52ClP/c1-20(2)23-16-25(21(3)4)29(26(17-23)22(5)6)35(34)30-27(32(10,11)12)18-24(31(7,8)9)19-28(30)33(13,14)15/h16-22H,1-15H3.
What are the key properties of chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane?
chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane has a molecular weight of 515.21 g/mol, XLogP of 10.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,4,6-tritert-butylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]phosphane is sourced from PubChem (CID 546782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).