[5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane

C24H26N2P+ — CID 101424144

IUPAC[5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCC(C)(C)n1cc[n+](C2C=CC=C2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2P/c1-24(2,3)26-18-17-25(19-26)22-15-10-16-23(22)27(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-19,22H,1-3H3/q+1
InChIKeyGKAWUIGLEHBFNY-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.66
Rot. Bonds4

About [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane

[5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane (PubChem CID 101424144) has the molecular formula C24H26N2P+ and a molecular weight of 373.46 g/mol. Its IUPAC name is [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane.

Molecular Properties

Compound Name[5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
PubChem CID101424144
Molecular FormulaC24H26N2P+
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane
SMILESCC(C)(C)n1cc[n+](C2C=CC=C2P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H26N2P/c1-24(2,3)26-18-17-25(19-26)22-15-10-16-23(22)27(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-19,22H,1-3H3/q+1
InChIKeyGKAWUIGLEHBFNY-UHFFFAOYSA-N
XLogP4.66
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1-Ethyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane tetrafluoroborate
CID 15945317
(1,3-Dimethylimidazol-1-ium-2-yl)-diphenyl-sulfanylidene-lambda5-phosphane chloride
CID 16196144
Phosphinothioic amide, N,N-dimethyl-P-imidazol-1-yl-P-phenyl-
CID 20836057
2-(diphenylphosphino)-1-methyl-1H-imidazole
CID 3610633
Bis(1-ethenylimidazol-2-yl)-phenyl-sulfanylidene-lambda5-phosphane
CID 4247711
1-(Triphenylstannyl)-1H-imidazole
CID 273084
Phosphinic amide, N,N-diethyl-P-imidazol-1-yl-P-phenyl-
CID 20836059
CID 139187890
CID 139187890
Diphenyl-(1,1,2,2-tetrafluoro-2-imidazol-1-ylethyl)phosphane
CID 130318739
(4-Tert-butyl-1-methylimidazol-2-yl)-diphenylphosphane
CID 9880204
1-Butyl-2-diphenylphosphino-3-methylimidazolium hexafluorophosphate
CID 11476890
(1-Butyl-3-methylimidazol-3-ium-2-yl)-diphenylphosphane
CID 11476891

Frequently Asked Questions

What is the IUPAC name of [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The IUPAC name of [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane (CID 101424144) is [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane.
What is the SMILES notation for [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The canonical SMILES for [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane is CC(C)(C)n1cc[n+](C2C=CC=C2P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
The InChIKey is GKAWUIGLEHBFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2P/c1-24(2,3)26-18-17-25(19-26)22-15-10-16-23(22)27(20-11-6-4-7-12-20)21-13-8-5-9-14-21/h4-19,22H,1-3H3/q+1.
What are the key properties of [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane?
[5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane has a molecular weight of 373.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-tert-butylimidazol-1-ium-1-yl)cyclopenta-1,3-dien-1-yl]-diphenylphosphane is sourced from PubChem (CID 101424144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).