palladium(2+);bis(triphenylen-1-ylphosphane);dichloride

C36H26Cl2P2Pd — CID 18325966

IUPACpalladium(2+);bis(triphenylen-1-ylphosphane);dichloride
SMILESPc1cccc2c3ccccc3c3ccccc3c12.Pc1cccc2c3ccccc3c3ccccc3c12.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C18H13P.2ClH.Pd/c2*19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17;;;/h2*1-11H,19H2;2*1H;/q;;;;+2/p-2
InChIKeyYPRFFVAKRKGNOH-UHFFFAOYSA-L
MW697.88 g/mol
LogP3.30
Rot. Bonds

About palladium(2+);bis(triphenylen-1-ylphosphane);dichloride

palladium(2+);bis(triphenylen-1-ylphosphane);dichloride (PubChem CID 18325966) has the molecular formula C36H26Cl2P2Pd and a molecular weight of 697.88 g/mol. Its IUPAC name is palladium(2+);bis(triphenylen-1-ylphosphane);dichloride.

Molecular Properties

Compound Namepalladium(2+);bis(triphenylen-1-ylphosphane);dichloride
PubChem CID18325966
Molecular FormulaC36H26Cl2P2Pd
Molecular Weight697.88 g/mol
Exact Mass695.99
IUPAC Namepalladium(2+);bis(triphenylen-1-ylphosphane);dichloride
SMILESPc1cccc2c3ccccc3c3ccccc3c12.Pc1cccc2c3ccccc3c3ccccc3c12.[Cl-].[Cl-].[Pd+2]
InChIInChI=1S/2C18H13P.2ClH.Pd/c2*19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17;;;/h2*1-11H,19H2;2*1H;/q;;;;+2/p-2
InChIKeyYPRFFVAKRKGNOH-UHFFFAOYSA-L
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500697.88
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

nonadecacyclo[78.4.0.02,73.03,8.09,66.010,37.011,16.017,30.018,23.024,29.031,36.038,65.039,44.045,58.046,51.052,57.059,64.067,72.074,79]tetraoctaconta-1(84),2(73),3,5,7,9,11,13,15,17(30),18,20,22,24,26,28,31,33,35,37,39,41,43,45(58),46,48,50,52,54,56,59,61,63,65,67,69,71,74,76,78,80,82-dotetracontaene
CID 162412244
heptadecacyclo[36.16.0.02,7.06,15.08,37.09,14.010,35.011,28.012,25.013,18.019,24.029,34.033,42.036,41.039,52.040,45.046,51]tetrapentaconta-1,3,5,7,9,11(28),12(25),13(18),14,16,19,21,23,26,29,31,33(42),34,36(41),37,39(52),40(45),43,46,48,50,53-heptacosaene
CID 11814412
nonadecacyclo[38.18.2.02,55.05,54.06,11.012,53.015,52.016,49.019,48.020,25.026,47.029,46.030,43.033,42.034,39.041,58.044,57.045,50.051,56]hexaconta-1,3,5(54),6,8,10,12(53),13,15,17,19(48),20,22,24,26(47),27,29,31,33(42),34,36,38,40,43,45,49,51,55,57,59-triacontaene
CID 58800430
ethane;pentakis(hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene)
CID 162231469
molecular hydrogen;naphthalen-1-ylphosphane
CID 174185570
benzo[e]pyrene
CID 9128
nonacyclo[20.6.4.02,7.08,30.09,14.015,31.016,21.023,28.029,32]dotriaconta-1(29),2,4,6,8(30),9,11,13,15(31),16,18,20,22(32),23,25,27-hexadecaene
CID 102166669
hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2,4,6,8,10,12,15,17,19,21,23,25-tridecaene;methanethiol
CID 159766512
undecacyclo[30.6.2.02,7.08,37.09,14.015,36.018,35.019,24.025,34.026,31.033,38]tetraconta-1(38),2,4,6,8(37),9,11,13,15(36),16,18(35),19,21,23,25(34),26,28,30,32,39-icosaene
CID 21083049
triphenylen-1-amine
CID 11139339
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
palladium;phosphane;tetrakis(triphenylene)
CID 175547767

Frequently Asked Questions

What is the IUPAC name of palladium(2+);bis(triphenylen-1-ylphosphane);dichloride?
The IUPAC name of palladium(2+);bis(triphenylen-1-ylphosphane);dichloride (CID 18325966) is palladium(2+);bis(triphenylen-1-ylphosphane);dichloride.
What is the SMILES notation for palladium(2+);bis(triphenylen-1-ylphosphane);dichloride?
The canonical SMILES for palladium(2+);bis(triphenylen-1-ylphosphane);dichloride is Pc1cccc2c3ccccc3c3ccccc3c12.Pc1cccc2c3ccccc3c3ccccc3c12.[Cl-].[Cl-].[Pd+2].
What is the InChIKey of palladium(2+);bis(triphenylen-1-ylphosphane);dichloride?
The InChIKey is YPRFFVAKRKGNOH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H13P.2ClH.Pd/c2*19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17;;;/h2*1-11H,19H2;2*1H;/q;;;;+2/p-2.
What are the key properties of palladium(2+);bis(triphenylen-1-ylphosphane);dichloride?
palladium(2+);bis(triphenylen-1-ylphosphane);dichloride has a molecular weight of 697.88 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for palladium(2+);bis(triphenylen-1-ylphosphane);dichloride is sourced from PubChem (CID 18325966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).