(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium

C23H24P+ — CID 98533107

IUPAC(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
SMILESCc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)C[C@H]2C
InChIInChI=1S/C23H24P/c1-18-13-14-23-19(2)16-24(17-20(23)15-18,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,19H,16-17H2,1-2H3/q+1/t19-/m1/s1
InChIKeyRUGCBCBHQGLVKZ-LJQANCHMSA-N
MW331.42 g/mol
LogP5.28
Rot. Bonds2

About (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium

(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium (PubChem CID 98533107) has the molecular formula C23H24P+ and a molecular weight of 331.42 g/mol. Its IUPAC name is (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium.

Molecular Properties

Compound Name(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
PubChem CID98533107
Molecular FormulaC23H24P+
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium
SMILESCc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)C[C@H]2C
InChIInChI=1S/C23H24P/c1-18-13-14-23-19(2)16-24(17-20(23)15-18,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,19H,16-17H2,1-2H3/q+1/t19-/m1/s1
InChIKeyRUGCBCBHQGLVKZ-LJQANCHMSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium?
The IUPAC name of (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium (CID 98533107) is (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium.
What is the SMILES notation for (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium?
The canonical SMILES for (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium is Cc1ccc2c(c1)C[P+](c1ccccc1)(c1ccccc1)C[C@H]2C.
What is the InChIKey of (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium?
The InChIKey is RUGCBCBHQGLVKZ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24P/c1-18-13-14-23-19(2)16-24(17-20(23)15-18,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-15,19H,16-17H2,1-2H3/q+1/t19-/m1/s1.
What are the key properties of (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium?
(4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium has a molecular weight of 331.42 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,7-dimethyl-2,2-diphenyl-3,4-dihydro-1H-isophosphinolin-2-ium is sourced from PubChem (CID 98533107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).