[2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane

C21H29P — CID 174843479

IUPAC[2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane
SMILESCC(C)c1ccc(-c2c(C(C)C)ccc(P)c2C(C)C)cc1
InChIInChI=1S/C21H29P/c1-13(2)16-7-9-17(10-8-16)21-18(14(3)4)11-12-19(22)20(21)15(5)6/h7-15H,22H2,1-6H3
InChIKeyBHROMHOWZAZNHS-UHFFFAOYSA-N
MW312.44 g/mol
LogP6.22
Rot. Bonds4

About [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane

[2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane (PubChem CID 174843479) has the molecular formula C21H29P and a molecular weight of 312.44 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane
PubChem CID174843479
Molecular FormulaC21H29P
Molecular Weight312.44 g/mol
Exact Mass312.20
IUPAC Name[2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane
SMILESCC(C)c1ccc(-c2c(C(C)C)ccc(P)c2C(C)C)cc1
InChIInChI=1S/C21H29P/c1-13(2)16-7-9-17(10-8-16)21-18(14(3)4)11-12-19(22)20(21)15(5)6/h7-15H,22H2,1-6H3
InChIKeyBHROMHOWZAZNHS-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 56.22
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-[2-(4-aminophenyl)-3-propan-2-yl-6-(4-propan-2-ylphenyl)phenyl]aniline
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[2,5-di(propan-2-yl)phenyl]phosphane
CID 146386628
6-(4-propan-2-ylphenyl)benzene-1,2,3,4,5-pentol
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[3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane
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(4-propan-2-ylphenyl)phosphane
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[3-(2-methylbutan-2-yl)-2,4-di(propan-2-yl)phenyl]phosphane
CID 138571871
2,4-di(propan-2-yl)-1-(4-propan-2-ylphenyl)benzene
CID 22103899
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708
1,3-difluoro-2,5-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2-fluoro-1,4-di(propan-2-yl)benzene
CID 157344584
[5-(4-methylphenyl)-2-propan-2-ylphenyl]phosphane
CID 142940836
1-chloro-4-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 158524706
4-[3-(4-hydroxy-3,5-dimethylphenyl)-2,4-di(propan-2-yl)phenyl]-2,6-dimethylphenol
CID 18412872

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane?
The IUPAC name of [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane (CID 174843479) is [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane.
What is the SMILES notation for [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane?
The canonical SMILES for [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane is CC(C)c1ccc(-c2c(C(C)C)ccc(P)c2C(C)C)cc1.
What is the InChIKey of [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane?
The InChIKey is BHROMHOWZAZNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29P/c1-13(2)16-7-9-17(10-8-16)21-18(14(3)4)11-12-19(22)20(21)15(5)6/h7-15H,22H2,1-6H3.
What are the key properties of [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane?
[2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane has a molecular weight of 312.44 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane is sourced from PubChem (CID 174843479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).