CID 57380014

C27H23N3P — CID 57380014

IUPAC—
SMILESC[C@H]([C]1[CH][CH][CH][C]1n1cc(-c2ccccc2)nn1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23N3P/c1-21(31(23-14-7-3-8-15-23)24-16-9-4-10-17-24)25-18-11-19-27(25)30-20-26(28-29-30)22-12-5-2-6-13-22/h2-21H,1H3/t21-/m1/s1
InChIKeyDLNFWNUELMZEHZ-OAQYLSRUSA-N
MW420.48 g/mol
LogP5.05
Rot. Bonds6

About CID 57380014

CID 57380014 (PubChem CID 57380014) has the molecular formula C27H23N3P and a molecular weight of 420.48 g/mol.

Molecular Properties

Compound NameCID 57380014
PubChem CID57380014
Molecular FormulaC27H23N3P
Molecular Weight420.48 g/mol
Exact Mass420.16
IUPAC Name—
SMILESC[C@H]([C]1[CH][CH][CH][C]1n1cc(-c2ccccc2)nn1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23N3P/c1-21(31(23-14-7-3-8-15-23)24-16-9-4-10-17-24)25-18-11-19-27(25)30-20-26(28-29-30)22-12-5-2-6-13-22/h2-21H,1H3/t21-/m1/s1
InChIKeyDLNFWNUELMZEHZ-OAQYLSRUSA-N
XLogP5.05
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 55.05
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 57380014?
The IUPAC name of CID 57380014 (CID 57380014) is not available.
What is the SMILES notation for CID 57380014?
The canonical SMILES for CID 57380014 is C[C@H]([C]1[CH][CH][CH][C]1n1cc(-c2ccccc2)nn1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of CID 57380014?
The InChIKey is DLNFWNUELMZEHZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H23N3P/c1-21(31(23-14-7-3-8-15-23)24-16-9-4-10-17-24)25-18-11-19-27(25)30-20-26(28-29-30)22-12-5-2-6-13-22/h2-21H,1H3/t21-/m1/s1.
What are the key properties of CID 57380014?
CID 57380014 has a molecular weight of 420.48 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57380014 is sourced from PubChem (CID 57380014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).