CID 10963632

C37H36N2O4P — CID 10963632

IUPAC—
SMILESCOC(=O)C1=C2Nc3ccccc3[C@@]23CCN([C@H](C)[C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)[C@H]3[C@H](OC(C)=O)C1
InChIInChI=1S/C37H36N2O4P/c1-24(28-17-12-20-33(28)44(26-13-6-4-7-14-26)27-15-8-5-9-16-27)39-22-21-37-30-18-10-11-19-31(30)38-34(37)29(36(41)42-3)23-32(35(37)39)43-25(2)40/h4-20,24,32,35,38H,21-23H2,1-3H3/t24-,32-,35+,37+/m1/s1
InChIKeyBVCCOKYJPDKTDA-YWPFALSSSA-N
MW603.68 g/mol
LogP5.44
Rot. Bonds7

About CID 10963632

CID 10963632 (PubChem CID 10963632) has the molecular formula C37H36N2O4P and a molecular weight of 603.68 g/mol.

Molecular Properties

Compound NameCID 10963632
PubChem CID10963632
Molecular FormulaC37H36N2O4P
Molecular Weight603.68 g/mol
Exact Mass603.24
IUPAC Name—
SMILESCOC(=O)C1=C2Nc3ccccc3[C@@]23CCN([C@H](C)[C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)[C@H]3[C@H](OC(C)=O)C1
InChIInChI=1S/C37H36N2O4P/c1-24(28-17-12-20-33(28)44(26-13-6-4-7-14-26)27-15-8-5-9-16-27)39-22-21-37-30-18-10-11-19-31(30)38-34(37)29(36(41)42-3)23-32(35(37)39)43-25(2)40/h4-20,24,32,35,38H,21-23H2,1-3H3/t24-,32-,35+,37+/m1/s1
InChIKeyBVCCOKYJPDKTDA-YWPFALSSSA-N
XLogP5.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.68
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 10963632?
The IUPAC name of CID 10963632 (CID 10963632) is not available.
What is the SMILES notation for CID 10963632?
The canonical SMILES for CID 10963632 is COC(=O)C1=C2Nc3ccccc3[C@@]23CCN([C@H](C)[C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)[C@H]3[C@H](OC(C)=O)C1.
What is the InChIKey of CID 10963632?
The InChIKey is BVCCOKYJPDKTDA-YWPFALSSSA-N. The full InChI is InChI=1S/C37H36N2O4P/c1-24(28-17-12-20-33(28)44(26-13-6-4-7-14-26)27-15-8-5-9-16-27)39-22-21-37-30-18-10-11-19-31(30)38-34(37)29(36(41)42-3)23-32(35(37)39)43-25(2)40/h4-20,24,32,35,38H,21-23H2,1-3H3/t24-,32-,35+,37+/m1/s1.
What are the key properties of CID 10963632?
CID 10963632 has a molecular weight of 603.68 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10963632 is sourced from PubChem (CID 10963632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).