triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium

C33H26OP+ — CID 98131390

IUPACtriphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium
SMILESC1=C(c2ccccc2)Oc2ccccc2[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H26OP/c1-5-15-26(16-6-1)32-25-33(30-23-13-14-24-31(30)34-32)35(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-25,33H/q+1/t33-/m0/s1
InChIKeyKVRLYHMITCDMIF-XIFFEERXSA-N
MW469.54 g/mol
LogP7.16
Rot. Bonds5

About triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium

triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium (PubChem CID 98131390) has the molecular formula C33H26OP+ and a molecular weight of 469.54 g/mol. Its IUPAC name is triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium
PubChem CID98131390
Molecular FormulaC33H26OP+
Molecular Weight469.54 g/mol
Exact Mass469.17
IUPAC Nametriphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium
SMILESC1=C(c2ccccc2)Oc2ccccc2[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H26OP/c1-5-15-26(16-6-1)32-25-33(30-23-13-14-24-31(30)34-32)35(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-25,33H/q+1/t33-/m0/s1
InChIKeyKVRLYHMITCDMIF-XIFFEERXSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium?
The IUPAC name of triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium (CID 98131390) is triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium.
What is the SMILES notation for triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium?
The canonical SMILES for triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium is C1=C(c2ccccc2)Oc2ccccc2[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium?
The InChIKey is KVRLYHMITCDMIF-XIFFEERXSA-N. The full InChI is InChI=1S/C33H26OP/c1-5-15-26(16-6-1)32-25-33(30-23-13-14-24-31(30)34-32)35(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-25,33H/q+1/t33-/m0/s1.
What are the key properties of triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium?
triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium has a molecular weight of 469.54 g/mol, XLogP of 7.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(4S)-2-phenyl-4H-chromen-4-yl]phosphanium is sourced from PubChem (CID 98131390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).