[(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide

C28H36BrP — CID 175428923

IUPAC[(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide
SMILESBr.CCCCCCCCCc1ccccc1C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35P.BrH/c1-2-3-4-5-6-7-10-17-24-18-15-16-23-27(24)28(29,25-19-11-8-12-20-25)26-21-13-9-14-22-26;/h8-9,11-16,18-23H,2-7,10,17,29H2,1H3;1H
InChIKeyROYWKSCPOTVKTB-UHFFFAOYSA-N
MW483.47 g/mol
LogP8.72
Rot. Bonds11

About [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide

[(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide (PubChem CID 175428923) has the molecular formula C28H36BrP and a molecular weight of 483.47 g/mol. Its IUPAC name is [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide.

Molecular Properties

Compound Name[(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide
PubChem CID175428923
Molecular FormulaC28H36BrP
Molecular Weight483.47 g/mol
Exact Mass482.17
IUPAC Name[(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide
SMILESBr.CCCCCCCCCc1ccccc1C(P)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H35P.BrH/c1-2-3-4-5-6-7-10-17-24-18-15-16-23-27(24)28(29,25-19-11-8-12-20-25)26-21-13-9-14-22-26;/h8-9,11-16,18-23H,2-7,10,17,29H2,1H3;1H
InChIKeyROYWKSCPOTVKTB-UHFFFAOYSA-N
XLogP8.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.47
LogP ≤ 58.72
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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1,2-di(nonadecyl)benzene
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1-dodecyl-2-hexylbenzene
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1-nonyl-2-pentylbenzene
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1,2-di(undecyl)benzene
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Frequently Asked Questions

What is the IUPAC name of [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide?
The IUPAC name of [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide (CID 175428923) is [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide.
What is the SMILES notation for [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide?
The canonical SMILES for [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide is Br.CCCCCCCCCc1ccccc1C(P)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide?
The InChIKey is ROYWKSCPOTVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35P.BrH/c1-2-3-4-5-6-7-10-17-24-18-15-16-23-27(24)28(29,25-19-11-8-12-20-25)26-21-13-9-14-22-26;/h8-9,11-16,18-23H,2-7,10,17,29H2,1H3;1H.
What are the key properties of [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide?
[(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide has a molecular weight of 483.47 g/mol, XLogP of 8.72, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide is sourced from PubChem (CID 175428923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).