CID 11378421

C27H31NO2P — CID 11378421

IUPAC—
SMILESCC(C)C(OP(c1ccccc1)c1ccccc1)(C(C)C)[C@@H]1COC([C]2[CH][CH][CH][CH]2)=N1
InChIInChI=1S/C27H31NO2P/c1-20(2)27(21(3)4,25-19-29-26(28-25)22-13-11-12-14-22)30-31(23-15-7-5-8-16-23)24-17-9-6-10-18-24/h5-18,20-21,25H,19H2,1-4H3/t25-/m0/s1
InChIKeyWYZZJPPEAYRXID-VWLOTQADSA-N
MW432.52 g/mol
LogP5.30
Rot. Bonds8

About CID 11378421

CID 11378421 (PubChem CID 11378421) has the molecular formula C27H31NO2P and a molecular weight of 432.52 g/mol.

Molecular Properties

Compound NameCID 11378421
PubChem CID11378421
Molecular FormulaC27H31NO2P
Molecular Weight432.52 g/mol
Exact Mass432.21
IUPAC Name—
SMILESCC(C)C(OP(c1ccccc1)c1ccccc1)(C(C)C)[C@@H]1COC([C]2[CH][CH][CH][CH]2)=N1
InChIInChI=1S/C27H31NO2P/c1-20(2)27(21(3)4,25-19-29-26(28-25)22-13-11-12-14-22)30-31(23-15-7-5-8-16-23)24-17-9-6-10-18-24/h5-18,20-21,25H,19H2,1-4H3/t25-/m0/s1
InChIKeyWYZZJPPEAYRXID-VWLOTQADSA-N
XLogP5.30
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.30
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 CID 11378421?
The IUPAC name of CID 11378421 (CID 11378421) is not available.
What is the SMILES notation for CID 11378421?
The canonical SMILES for CID 11378421 is CC(C)C(OP(c1ccccc1)c1ccccc1)(C(C)C)[C@@H]1COC([C]2[CH][CH][CH][CH]2)=N1.
What is the InChIKey of CID 11378421?
The InChIKey is WYZZJPPEAYRXID-VWLOTQADSA-N. The full InChI is InChI=1S/C27H31NO2P/c1-20(2)27(21(3)4,25-19-29-26(28-25)22-13-11-12-14-22)30-31(23-15-7-5-8-16-23)24-17-9-6-10-18-24/h5-18,20-21,25H,19H2,1-4H3/t25-/m0/s1.
What are the key properties of CID 11378421?
CID 11378421 has a molecular weight of 432.52 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11378421 is sourced from PubChem (CID 11378421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).