(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane

C30H26P2 — CID 16691563

IUPAC(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane
SMILESC1=CC(CP(c2ccccc2)c2ccccc2)C(P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C30H26P2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-23,25H,24H2
InChIKeyITPNGONZYKJNMY-UHFFFAOYSA-N
MW448.49 g/mol
LogP6.32
Rot. Bonds7

About (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane

(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane (PubChem CID 16691563) has the molecular formula C30H26P2 and a molecular weight of 448.49 g/mol. Its IUPAC name is (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane.

Molecular Properties

Compound Name(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane
PubChem CID16691563
Molecular FormulaC30H26P2
Molecular Weight448.49 g/mol
Exact Mass448.15
IUPAC Name(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane
SMILESC1=CC(CP(c2ccccc2)c2ccccc2)C(P(c2ccccc2)c2ccccc2)=C1
InChIInChI=1S/C30H26P2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-23,25H,24H2
InChIKeyITPNGONZYKJNMY-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 56.32
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

[5-(ethoxymethyl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 176546157
benzyl-[(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl]-dimethylazanium
CID 101238580
(5-fluorocyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 176541891
[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopenta-2,4-dien-1-yl]methyl-ditert-butylphosphane
CID 87228412
[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopenta-1,3-dien-1-yl]-diphenylphosphane
CID 70940383
(5-tert-butylsulfanylcyclopenta-1,3-dien-1-yl)-diphenylphosphane
CID 102357317
(1R)-N-diphenylphosphanyl-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)ethanamine
CID 87789367
nickel(2+);tris(triphenylphosphane);diiodide
CID 173453506
triphenylphosphane
CID 139056248
(1R)-1-(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)-N-[(1S)-1-phenylethyl]ethanamine
CID 87708719
diphenylphosphanylmethanethiol
CID 11230015
2-diphenylphosphanylethyl(diphenyl)phosphane;bis(gold(1+));bis(triphenylphosphane);dichloride
CID 11981349

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane?
The IUPAC name of (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane (CID 16691563) is (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane.
What is the SMILES notation for (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane?
The canonical SMILES for (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane is C1=CC(CP(c2ccccc2)c2ccccc2)C(P(c2ccccc2)c2ccccc2)=C1.
What is the InChIKey of (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane?
The InChIKey is ITPNGONZYKJNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26P2/c1-5-15-26(16-6-1)31(27-17-7-2-8-18-27)24-25-14-13-23-30(25)32(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-23,25H,24H2.
What are the key properties of (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane?
(2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane has a molecular weight of 448.49 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphanylcyclopenta-2,4-dien-1-yl)methyl-diphenylphosphane is sourced from PubChem (CID 16691563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).