CID 135774007

C32H30NO2P2 — CID 135774007

IUPAC—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C32H30NO2P2/c1-26(33(2)37(34-27-16-7-3-8-17-27)35-28-18-9-4-10-19-28)31-24-15-25-32(31)36(29-20-11-5-12-21-29)30-22-13-6-14-23-30/h3-26H,1-2H3/t26-/m0/s1
InChIKeyKILZFZMTIGCIFI-SANMLTNESA-N
MW522.55 g/mol
LogP7.56
Rot. Bonds10

About CID 135774007

CID 135774007 (PubChem CID 135774007) has the molecular formula C32H30NO2P2 and a molecular weight of 522.55 g/mol.

Molecular Properties

Compound NameCID 135774007
PubChem CID135774007
Molecular FormulaC32H30NO2P2
Molecular Weight522.55 g/mol
Exact Mass522.18
IUPAC Name—
SMILESC[C@@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C32H30NO2P2/c1-26(33(2)37(34-27-16-7-3-8-17-27)35-28-18-9-4-10-19-28)31-24-15-25-32(31)36(29-20-11-5-12-21-29)30-22-13-6-14-23-30/h3-26H,1-2H3/t26-/m0/s1
InChIKeyKILZFZMTIGCIFI-SANMLTNESA-N
XLogP7.56
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.55
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 135774007?
The IUPAC name of CID 135774007 (CID 135774007) is not available.
What is the SMILES notation for CID 135774007?
The canonical SMILES for CID 135774007 is C[C@@H]([C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)N(C)P(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of CID 135774007?
The InChIKey is KILZFZMTIGCIFI-SANMLTNESA-N. The full InChI is InChI=1S/C32H30NO2P2/c1-26(33(2)37(34-27-16-7-3-8-17-27)35-28-18-9-4-10-19-28)31-24-15-25-32(31)36(29-20-11-5-12-21-29)30-22-13-6-14-23-30/h3-26H,1-2H3/t26-/m0/s1.
What are the key properties of CID 135774007?
CID 135774007 has a molecular weight of 522.55 g/mol, XLogP of 7.56, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135774007 is sourced from PubChem (CID 135774007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).