diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane

C18H21N3P2 — CID 139138584

IUPACdiphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane
SMILESc1ccc(P(c2ccccc2)[C@@H]2N3CN4CN(C3)CP2C4)cc1
InChIInChI=1S/C18H21N3P2/c1-3-7-16(8-4-1)23(17-9-5-2-6-10-17)18-21-12-19-11-20(13-21)15-22(18)14-19/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyBGLKOGAYHWHLED-GOSISDBHSA-N
MW341.33 g/mol
LogP2.62
Rot. Bonds3

About diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane

diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane (PubChem CID 139138584) has the molecular formula C18H21N3P2 and a molecular weight of 341.33 g/mol. Its IUPAC name is diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane.

Molecular Properties

Compound Namediphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane
PubChem CID139138584
Molecular FormulaC18H21N3P2
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC Namediphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane
SMILESc1ccc(P(c2ccccc2)[C@@H]2N3CN4CN(C3)CP2C4)cc1
InChIInChI=1S/C18H21N3P2/c1-3-7-16(8-4-1)23(17-9-5-2-6-10-17)18-21-12-19-11-20(13-21)15-22(18)14-19/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyBGLKOGAYHWHLED-GOSISDBHSA-N
XLogP2.62
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane?
The IUPAC name of diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane (CID 139138584) is diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane.
What is the SMILES notation for diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane?
The canonical SMILES for diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane is c1ccc(P(c2ccccc2)[C@@H]2N3CN4CN(C3)CP2C4)cc1.
What is the InChIKey of diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane?
The InChIKey is BGLKOGAYHWHLED-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3P2/c1-3-7-16(8-4-1)23(17-9-5-2-6-10-17)18-21-12-19-11-20(13-21)15-22(18)14-19/h1-10,18H,11-15H2/t18-/m1/s1.
What are the key properties of diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane?
diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane has a molecular weight of 341.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[(6S)-1,3,5-triaza-7-phosphatricyclo[3.3.1.13,7]decan-6-yl]phosphane is sourced from PubChem (CID 139138584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).