CID 11528005

C40H40N2P2 — CID 11528005

IUPAC—
SMILESC[C@H](NCCN[C@@H](C)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H40N2P2/c1-31(37-25-15-27-39(37)43(33-17-7-3-8-18-33)34-19-9-4-10-20-34)41-29-30-42-32(2)38-26-16-28-40(38)44(35-21-11-5-12-22-35)36-23-13-6-14-24-36/h3-28,31-32,41-42H,29-30H2,1-2H3/t31-,32-/m0/s1
InChIKeyUIKLYTXSKGVPDG-ACHIHNKUSA-N
MW610.72 g/mol
LogP6.67
Rot. Bonds13

About CID 11528005

CID 11528005 (PubChem CID 11528005) has the molecular formula C40H40N2P2 and a molecular weight of 610.72 g/mol.

Molecular Properties

Compound NameCID 11528005
PubChem CID11528005
Molecular FormulaC40H40N2P2
Molecular Weight610.72 g/mol
Exact Mass610.27
IUPAC Name—
SMILESC[C@H](NCCN[C@@H](C)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C40H40N2P2/c1-31(37-25-15-27-39(37)43(33-17-7-3-8-18-33)34-19-9-4-10-20-34)41-29-30-42-32(2)38-26-16-28-40(38)44(35-21-11-5-12-22-35)36-23-13-6-14-24-36/h3-28,31-32,41-42H,29-30H2,1-2H3/t31-,32-/m0/s1
InChIKeyUIKLYTXSKGVPDG-ACHIHNKUSA-N
XLogP6.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 56.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11528005?
The IUPAC name of CID 11528005 (CID 11528005) is not available.
What is the SMILES notation for CID 11528005?
The canonical SMILES for CID 11528005 is C[C@H](NCCN[C@@H](C)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 11528005?
The InChIKey is UIKLYTXSKGVPDG-ACHIHNKUSA-N. The full InChI is InChI=1S/C40H40N2P2/c1-31(37-25-15-27-39(37)43(33-17-7-3-8-18-33)34-19-9-4-10-20-34)41-29-30-42-32(2)38-26-16-28-40(38)44(35-21-11-5-12-22-35)36-23-13-6-14-24-36/h3-28,31-32,41-42H,29-30H2,1-2H3/t31-,32-/m0/s1.
What are the key properties of CID 11528005?
CID 11528005 has a molecular weight of 610.72 g/mol, XLogP of 6.67, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11528005 is sourced from PubChem (CID 11528005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).