tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide

C23H34K3N2O2P+2 — CID 158428179

IUPACtripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide
SMILESCCCCCCc1onc2c1CCc1cc(C3CCC(N)(CO)C3)ccc1-2.[K+].[K+].[K+].[PH2-]
InChIInChI=1S/C23H32N2O2.3K.H2P/c1-2-3-4-5-6-21-20-10-8-17-13-16(7-9-19(17)22(20)25-27-21)18-11-12-23(24,14-18)15-26;;;;/h7,9,13,18,26H,2-6,8,10-12,14-15,24H2,1H3;;;;1H2/q;3*+1;-1
InChIKeyIYSFBPXQOQRWBP-UHFFFAOYSA-N
MW518.81 g/mol
LogP-4.14
Rot. Bonds7

About tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide

tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide (PubChem CID 158428179) has the molecular formula C23H34K3N2O2P+2 and a molecular weight of 518.81 g/mol. Its IUPAC name is tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide.

Molecular Properties

Compound Nametripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide
PubChem CID158428179
Molecular FormulaC23H34K3N2O2P+2
Molecular Weight518.81 g/mol
Exact Mass518.13
IUPAC Nametripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide
SMILESCCCCCCc1onc2c1CCc1cc(C3CCC(N)(CO)C3)ccc1-2.[K+].[K+].[K+].[PH2-]
InChIInChI=1S/C23H32N2O2.3K.H2P/c1-2-3-4-5-6-21-20-10-8-17-13-16(7-9-19(17)22(20)25-27-21)18-11-12-23(24,14-18)15-26;;;;/h7,9,13,18,26H,2-6,8,10-12,14-15,24H2,1H3;;;;1H2/q;3*+1;-1
InChIKeyIYSFBPXQOQRWBP-UHFFFAOYSA-N
XLogP-4.14
TPSA72.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.81
LogP ≤ 5-4.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide?
The IUPAC name of tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide (CID 158428179) is tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide.
What is the SMILES notation for tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide?
The canonical SMILES for tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide is CCCCCCc1onc2c1CCc1cc(C3CCC(N)(CO)C3)ccc1-2.[K+].[K+].[K+].[PH2-].
What is the InChIKey of tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide?
The InChIKey is IYSFBPXQOQRWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2.3K.H2P/c1-2-3-4-5-6-21-20-10-8-17-13-16(7-9-19(17)22(20)25-27-21)18-11-12-23(24,14-18)15-26;;;;/h7,9,13,18,26H,2-6,8,10-12,14-15,24H2,1H3;;;;1H2/q;3*+1;-1.
What are the key properties of tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide?
tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide has a molecular weight of 518.81 g/mol, XLogP of -4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;[1-amino-3-(3-hexyl-4,5-dihydrobenzo[g][2,1]benzoxazol-7-yl)cyclopentyl]methanol;phosphanide is sourced from PubChem (CID 158428179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).