[3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane

C27H41P — CID 174856843

IUPAC[3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane
SMILESCCCCCCc1c(C(C)C)c(P)c(C(C)C)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C27H41P/c1-8-9-10-14-17-22-23(18(2)3)26(21-15-12-11-13-16-21)25(20(6)7)27(28)24(22)19(4)5/h11-13,15-16,18-20H,8-10,14,17,28H2,1-7H3
InChIKeyCEYBWKSHUWIUEZ-UHFFFAOYSA-N
MW396.60 g/mol
LogP8.35
Rot. Bonds9

About [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane

[3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane (PubChem CID 174856843) has the molecular formula C27H41P and a molecular weight of 396.60 g/mol. Its IUPAC name is [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name[3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane
PubChem CID174856843
Molecular FormulaC27H41P
Molecular Weight396.60 g/mol
Exact Mass396.29
IUPAC Name[3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane
SMILESCCCCCCc1c(C(C)C)c(P)c(C(C)C)c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C27H41P/c1-8-9-10-14-17-22-23(18(2)3)26(21-15-12-11-13-16-21)25(20(6)7)27(28)24(22)19(4)5/h11-13,15-16,18-20H,8-10,14,17,28H2,1-7H3
InChIKeyCEYBWKSHUWIUEZ-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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3-decyl-4-ethyl-2-phenylphenol
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1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
1-hexyl-3-methyl-4-pentyl-2-phenylbenzene
CID 173075970
3,4-didecyl-2-phenylnaphthalen-1-amine
CID 141323238
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
1,1'-biphenyl;hexadecane
CID 173308514
1,3-di(butan-2-yl)-4-butyl-2,5-diphenylbenzene
CID 123884738
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
CID 22005326
1,2,3,4-tetraphenyl-5,6-dipropylbenzene
CID 102026610

Frequently Asked Questions

What is the IUPAC name of [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane?
The IUPAC name of [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane (CID 174856843) is [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane.
What is the SMILES notation for [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane?
The canonical SMILES for [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane is CCCCCCc1c(C(C)C)c(P)c(C(C)C)c(-c2ccccc2)c1C(C)C.
What is the InChIKey of [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane?
The InChIKey is CEYBWKSHUWIUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41P/c1-8-9-10-14-17-22-23(18(2)3)26(21-15-12-11-13-16-21)25(20(6)7)27(28)24(22)19(4)5/h11-13,15-16,18-20H,8-10,14,17,28H2,1-7H3.
What are the key properties of [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane?
[3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane has a molecular weight of 396.60 g/mol, XLogP of 8.35, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hexyl-5-phenyl-2,4,6-tri(propan-2-yl)phenyl]phosphane is sourced from PubChem (CID 174856843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).