(2-nonylphenyl)phosphane;triphenylphosphane

C33H40P2 — CID 174888217

IUPAC(2-nonylphenyl)phosphane;triphenylphosphane
SMILESCCCCCCCCCc1ccccc1P.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C15H25P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h1-15H;9-10,12-13H,2-8,11,16H2,1H3
InChIKeyNRNPEDZEARMDEJ-UHFFFAOYSA-N
MW498.63 g/mol
LogP7.92
Rot. Bonds11

About (2-nonylphenyl)phosphane;triphenylphosphane

(2-nonylphenyl)phosphane;triphenylphosphane (PubChem CID 174888217) has the molecular formula C33H40P2 and a molecular weight of 498.63 g/mol. Its IUPAC name is (2-nonylphenyl)phosphane;triphenylphosphane.

Molecular Properties

Compound Name(2-nonylphenyl)phosphane;triphenylphosphane
PubChem CID174888217
Molecular FormulaC33H40P2
Molecular Weight498.63 g/mol
Exact Mass498.26
IUPAC Name(2-nonylphenyl)phosphane;triphenylphosphane
SMILESCCCCCCCCCc1ccccc1P.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15P.C15H25P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h1-15H;9-10,12-13H,2-8,11,16H2,1H3
InChIKeyNRNPEDZEARMDEJ-UHFFFAOYSA-N
XLogP7.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 57.92
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

(2-nonylphenyl)phosphane;phosphane
CID 174846019
(2-pentylphenyl)-diphenylphosphane
CID 22731138
1-nonyl-2-pentylbenzene
CID 54050070
1-dodecyl-2-hexylbenzene
CID 19371073
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100
butane;triphenylphosphane
CID 161447439
carbonic acid;1,2-dihexylbenzene
CID 174444225
1-(2-fluoroethyl)-2-hexylbenzene
CID 141319097

Frequently Asked Questions

What is the IUPAC name of (2-nonylphenyl)phosphane;triphenylphosphane?
The IUPAC name of (2-nonylphenyl)phosphane;triphenylphosphane (CID 174888217) is (2-nonylphenyl)phosphane;triphenylphosphane.
What is the SMILES notation for (2-nonylphenyl)phosphane;triphenylphosphane?
The canonical SMILES for (2-nonylphenyl)phosphane;triphenylphosphane is CCCCCCCCCc1ccccc1P.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2-nonylphenyl)phosphane;triphenylphosphane?
The InChIKey is NRNPEDZEARMDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15P.C15H25P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)16/h1-15H;9-10,12-13H,2-8,11,16H2,1H3.
What are the key properties of (2-nonylphenyl)phosphane;triphenylphosphane?
(2-nonylphenyl)phosphane;triphenylphosphane has a molecular weight of 498.63 g/mol, XLogP of 7.92, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nonylphenyl)phosphane;triphenylphosphane is sourced from PubChem (CID 174888217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).