4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene

C27H25O2P — CID 2751650

IUPAC4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene
SMILESO=P(c1ccccc1)(c1ccccc1)C1C=C(c2ccccc2)OC2=C1CCCC2
InChIInChI=1S/C27H25O2P/c28-30(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27-20-26(21-12-4-1-5-13-21)29-25-19-11-10-18-24(25)27/h1-9,12-17,20,27H,10-11,18-19H2
InChIKeyVVTBDRHOBMTAAL-UHFFFAOYSA-N
MW412.47 g/mol
LogP6.27
Rot. Bonds4

About 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene

4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene (PubChem CID 2751650) has the molecular formula C27H25O2P and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene.

Molecular Properties

Compound Name4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene
PubChem CID2751650
Molecular FormulaC27H25O2P
Molecular Weight412.47 g/mol
Exact Mass412.16
IUPAC Name4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene
SMILESO=P(c1ccccc1)(c1ccccc1)C1C=C(c2ccccc2)OC2=C1CCCC2
InChIInChI=1S/C27H25O2P/c28-30(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27-20-26(21-12-4-1-5-13-21)29-25-19-11-10-18-24(25)27/h1-9,12-17,20,27H,10-11,18-19H2
InChIKeyVVTBDRHOBMTAAL-UHFFFAOYSA-N
XLogP6.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene?
The IUPAC name of 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene (CID 2751650) is 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene.
What is the SMILES notation for 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene?
The canonical SMILES for 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene is O=P(c1ccccc1)(c1ccccc1)C1C=C(c2ccccc2)OC2=C1CCCC2.
What is the InChIKey of 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene?
The InChIKey is VVTBDRHOBMTAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25O2P/c28-30(22-14-6-2-7-15-22,23-16-8-3-9-17-23)27-20-26(21-12-4-1-5-13-21)29-25-19-11-10-18-24(25)27/h1-9,12-17,20,27H,10-11,18-19H2.
What are the key properties of 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene?
4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene has a molecular weight of 412.47 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-2-phenyl-5,6,7,8-tetrahydro-4H-chromene is sourced from PubChem (CID 2751650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).