(5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane

C26H26P2 — CID 15888593

IUPAC(5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane
SMILESCC1=C(C)C2C(P(c3ccccc3)c3ccccc3)CC1P2c1ccccc1
InChIInChI=1S/C26H26P2/c1-19-20(2)26-25(18-24(19)28(26)23-16-10-5-11-17-23)27(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24-26H,18H2,1-2H3
InChIKeySHDHINXTGBQSJY-UHFFFAOYSA-N
MW400.44 g/mol
LogP5.79
Rot. Bonds4

About (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane

(5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane (PubChem CID 15888593) has the molecular formula C26H26P2 and a molecular weight of 400.44 g/mol. Its IUPAC name is (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane.

Molecular Properties

Compound Name(5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane
PubChem CID15888593
Molecular FormulaC26H26P2
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name(5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane
SMILESCC1=C(C)C2C(P(c3ccccc3)c3ccccc3)CC1P2c1ccccc1
InChIInChI=1S/C26H26P2/c1-19-20(2)26-25(18-24(19)28(26)23-16-10-5-11-17-23)27(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24-26H,18H2,1-2H3
InChIKeySHDHINXTGBQSJY-UHFFFAOYSA-N
XLogP5.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.44
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(1S,2R,4S,7S)-5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane
CID 11787670
ethyl (2S,3R)-3-diphenylphosphanyl-5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-ene-2-carboxylate;bis(gold(1+));dichloride
CID 10170117
ethyl (2S,3S)-3-diphenylphosphanyl-5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-ene-2-carboxylate;bis(gold(1+));dichloride
CID 10213243
[(1R,2R)-2-diphenylphosphanylcyclohexyl]-diphenylphosphane
CID 59800266
2,4-dimethyl-1-phenylphosphetane
CID 23418540
[(1R,2S,4R)-5,6-dimethyl-7-phenyl-7-sulfido-7-phosphoniabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane
CID 101214768
[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-diphenylphosphane
CID 129111578
(2S,3S)-2,3-dimethyl-1-phenylphosphirane
CID 10844752
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
CID 102055643
[(2R)-2-[(1R)-2-diphenylphosphanylcyclopentyl]cyclopentyl]-diphenylphosphane
CID 15361438
[(1R,2S,4R)-7-diphenylphosphanyl-7-azabicyclo[2.2.1]hept-5-en-2-yl]-diphenylphosphane
CID 102464791
2-diphenylphosphanylcyclohexan-1-ol
CID 15198683

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane?
The IUPAC name of (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane (CID 15888593) is (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane.
What is the SMILES notation for (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane?
The canonical SMILES for (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane is CC1=C(C)C2C(P(c3ccccc3)c3ccccc3)CC1P2c1ccccc1.
What is the InChIKey of (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane?
The InChIKey is SHDHINXTGBQSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26P2/c1-19-20(2)26-25(18-24(19)28(26)23-16-10-5-11-17-23)27(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,24-26H,18H2,1-2H3.
What are the key properties of (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane?
(5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane has a molecular weight of 400.44 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-7-phenyl-7-phosphabicyclo[2.2.1]hept-5-en-2-yl)-diphenylphosphane is sourced from PubChem (CID 15888593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).