ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane

C27H36P2 — CID 16689860

IUPACditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
SMILESC[C@H](C1=CC=CC1P(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H36P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h8-21,25H,1-7H3/t21-,25?/m1/s1
InChIKeyVTEQGKLSCUJREW-JGKWMGOWSA-N
MW422.53 g/mol
LogP7.45
Rot. Bonds5

About ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane

ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane (PubChem CID 16689860) has the molecular formula C27H36P2 and a molecular weight of 422.53 g/mol. Its IUPAC name is ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
PubChem CID16689860
Molecular FormulaC27H36P2
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Nameditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
SMILESC[C@H](C1=CC=CC1P(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C27H36P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h8-21,25H,1-7H3/t21-,25?/m1/s1
InChIKeyVTEQGKLSCUJREW-JGKWMGOWSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 57.45
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

2-[1-[(5S)-5-diphenylphosphanylcyclopenta-1,3-dien-1-yl]ethoxy]ethanol
CID 122497284
(2-ethenylcyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 102163654
cyclopentane;ditert-butyl-[1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 91663083
cyclopentane;ditert-butyl-[(1S)-1-(2-diphenylphosphanylcyclopentyl)ethyl]phosphane;iron
CID 117061916
(6-methylidenecyclohexa-2,4-dien-1-yl)-diphenylphosphane;hydrobromide
CID 173182255
(6-methylcyclohexa-2,4-dien-1-yl)-diphenylphosphane
CID 123887097
ditert-butyl-[1-(2-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane
CID 85432950
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
(1S)-1-[5-bis[2,4-bis(trifluoromethyl)phenyl]phosphanylcyclopenta-1,3-dien-1-yl]-N,N-dimethyl-1-phenylmethanamine
CID 101390430
(2,3-dichlorocyclopenta-2,4-dien-1-yl)-diphenylphosphane
CID 87145521
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The IUPAC name of ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane (CID 16689860) is ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane.
What is the SMILES notation for ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The canonical SMILES for ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane is C[C@H](C1=CC=CC1P(c1ccccc1)c1ccccc1)P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
The InChIKey is VTEQGKLSCUJREW-JGKWMGOWSA-N. The full InChI is InChI=1S/C27H36P2/c1-21(29(26(2,3)4)27(5,6)7)24-19-14-20-25(24)28(22-15-10-8-11-16-22)23-17-12-9-13-18-23/h8-21,25H,1-7H3/t21-,25?/m1/s1.
What are the key properties of ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane?
ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane has a molecular weight of 422.53 g/mol, XLogP of 7.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(1R)-1-(5-diphenylphosphanylcyclopenta-1,3-dien-1-yl)ethyl]phosphane is sourced from PubChem (CID 16689860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).