CID 11570288

C28H33NOP — CID 11570288

IUPAC—
SMILESCc1cc(C)cc(P([C]2[CH][CH][CH][C]2C2=N[C@@H](C(C)(C)C)CO2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C28H33NOP/c1-18-11-19(2)14-22(13-18)31(23-15-20(3)12-21(4)16-23)25-10-8-9-24(25)27-29-26(17-30-27)28(5,6)7/h8-16,26H,17H2,1-7H3/t26-/m1/s1
InChIKeyWJTHTYSPVOUFRB-AREMUKBSSA-N
MW430.55 g/mol
LogP5.93
Rot. Bonds4

About CID 11570288

CID 11570288 (PubChem CID 11570288) has the molecular formula C28H33NOP and a molecular weight of 430.55 g/mol.

Molecular Properties

Compound NameCID 11570288
PubChem CID11570288
Molecular FormulaC28H33NOP
Molecular Weight430.55 g/mol
Exact Mass430.23
IUPAC Name—
SMILESCc1cc(C)cc(P([C]2[CH][CH][CH][C]2C2=N[C@@H](C(C)(C)C)CO2)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C28H33NOP/c1-18-11-19(2)14-22(13-18)31(23-15-20(3)12-21(4)16-23)25-10-8-9-24(25)27-29-26(17-30-27)28(5,6)7/h8-16,26H,17H2,1-7H3/t26-/m1/s1
InChIKeyWJTHTYSPVOUFRB-AREMUKBSSA-N
XLogP5.93
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.93
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 CID 11570288?
The IUPAC name of CID 11570288 (CID 11570288) is not available.
What is the SMILES notation for CID 11570288?
The canonical SMILES for CID 11570288 is Cc1cc(C)cc(P([C]2[CH][CH][CH][C]2C2=N[C@@H](C(C)(C)C)CO2)c2cc(C)cc(C)c2)c1.
What is the InChIKey of CID 11570288?
The InChIKey is WJTHTYSPVOUFRB-AREMUKBSSA-N. The full InChI is InChI=1S/C28H33NOP/c1-18-11-19(2)14-22(13-18)31(23-15-20(3)12-21(4)16-23)25-10-8-9-24(25)27-29-26(17-30-27)28(5,6)7/h8-16,26H,17H2,1-7H3/t26-/m1/s1.
What are the key properties of CID 11570288?
CID 11570288 has a molecular weight of 430.55 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11570288 is sourced from PubChem (CID 11570288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).