[12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane

C14H20N5P3 — CID 177068903

IUPAC[12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane
SMILESCC[C@@H]1CN(P)CC1c1cnc2cnc3c(ccn3PP)n12
InChIInChI=1S/C14H20N5P3/c1-2-9-7-17(20)8-10(9)12-5-15-13-6-16-14-11(19(12)13)3-4-18(14)22-21/h3-6,9-10,22H,2,7-8,20-21H2,1H3/t9-,10?/m1/s1
InChIKeyGPIHJPRBTJLVFU-YHMJZVADSA-N
MW351.27 g/mol
LogP3.13
Rot. Bonds3

About [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane

[12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane (PubChem CID 177068903) has the molecular formula C14H20N5P3 and a molecular weight of 351.27 g/mol. Its IUPAC name is [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane.

Molecular Properties

Compound Name[12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane
PubChem CID177068903
Molecular FormulaC14H20N5P3
Molecular Weight351.27 g/mol
Exact Mass351.09
IUPAC Name[12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane
SMILESCC[C@@H]1CN(P)CC1c1cnc2cnc3c(ccn3PP)n12
InChIInChI=1S/C14H20N5P3/c1-2-9-7-17(20)8-10(9)12-5-15-13-6-16-14-11(19(12)13)3-4-18(14)22-21/h3-6,9-10,22H,2,7-8,20-21H2,1H3/t9-,10?/m1/s1
InChIKeyGPIHJPRBTJLVFU-YHMJZVADSA-N
XLogP3.13
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane?
The IUPAC name of [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane (CID 177068903) is [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane.
What is the SMILES notation for [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane?
The canonical SMILES for [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane is CC[C@@H]1CN(P)CC1c1cnc2cnc3c(ccn3PP)n12.
What is the InChIKey of [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane?
The InChIKey is GPIHJPRBTJLVFU-YHMJZVADSA-N. The full InChI is InChI=1S/C14H20N5P3/c1-2-9-7-17(20)8-10(9)12-5-15-13-6-16-14-11(19(12)13)3-4-18(14)22-21/h3-6,9-10,22H,2,7-8,20-21H2,1H3/t9-,10?/m1/s1.
What are the key properties of [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane?
[12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane has a molecular weight of 351.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [12-[(4S)-4-ethyl-1-phosphanylpyrrolidin-3-yl]-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl]-phosphanylphosphane is sourced from PubChem (CID 177068903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).