CID 166639295

C23H26OP2+ — CID 166639295

IUPAC—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1[P+](=O)C(C)(C)C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26OP2/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-18H,1-4H3/q+1/t18-/m0/s1
InChIKeyCUZHJOIDDRCKKU-SFHVURJKSA-N
MW380.41 g/mol
LogP5.87
Rot. Bonds5

About CID 166639295

CID 166639295 (PubChem CID 166639295) has the molecular formula C23H26OP2+ and a molecular weight of 380.41 g/mol.

Molecular Properties

Compound NameCID 166639295
PubChem CID166639295
Molecular FormulaC23H26OP2+
Molecular Weight380.41 g/mol
Exact Mass380.15
IUPAC Name—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1[P+](=O)C(C)(C)C)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H26OP2/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-18H,1-4H3/q+1/t18-/m0/s1
InChIKeyCUZHJOIDDRCKKU-SFHVURJKSA-N
XLogP5.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.41
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(SP)-1-[(R)-tert-Butylphosphinoyl]-2-[(R)-1-(diphenylphosphino)ethyl]ferrocene, 97%
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CID 11720857
(R)-1-[(SP)-2-(Dicyclohexylphosphino)ferrocenylethyl]diphenylphosphine
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CID 57380014
[(2R,3R)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 2724948
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CID 57380020
CID 134991259
CID 134991259
[(1S)-1-[3-[(1S)-1-diphenylphosphanylethyl]phenyl]ethyl]-diphenylphosphane
CID 46216943
[3-(1-diphenylphosphanylethyl)-3,4-dimethylpentan-2-yl]-diphenylphosphane
CID 22672805
dichlorocobalt;[(2S,3S)-3-diphenylphosphanylbutan-2-yl]-diphenylphosphane
CID 11364946

Frequently Asked Questions

What is the IUPAC name of CID 166639295?
The IUPAC name of CID 166639295 (CID 166639295) is not available.
What is the SMILES notation for CID 166639295?
The canonical SMILES for CID 166639295 is C[C@@H]([C]1[CH][CH][CH][C]1[P+](=O)C(C)(C)C)P(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 166639295?
The InChIKey is CUZHJOIDDRCKKU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26OP2/c1-18(21-16-11-17-22(21)26(24)23(2,3)4)25(19-12-7-5-8-13-19)20-14-9-6-10-15-20/h5-18H,1-4H3/q+1/t18-/m0/s1.
What are the key properties of CID 166639295?
CID 166639295 has a molecular weight of 380.41 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166639295 is sourced from PubChem (CID 166639295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).