CID 119079267

C24H44BN2P2 — CID 119079267

IUPAC—
SMILESCC(C)(C)P(CN1[B]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C
InChIInChI=1S/C24H44BN2P2/c1-21(2,3)28(22(4,5)6)17-26-19-15-13-14-16-20(19)27(25-26)18-29(23(7,8)9)24(10,11)12/h13-16H,17-18H2,1-12H3
InChIKeyPOWSVVFFNCVAOG-UHFFFAOYSA-N
MW433.39 g/mol
LogP7.92
Rot. Bonds4

About CID 119079267

CID 119079267 (PubChem CID 119079267) has the molecular formula C24H44BN2P2 and a molecular weight of 433.39 g/mol.

Molecular Properties

Compound NameCID 119079267
PubChem CID119079267
Molecular FormulaC24H44BN2P2
Molecular Weight433.39 g/mol
Exact Mass433.31
IUPAC Name—
SMILESCC(C)(C)P(CN1[B]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C
InChIInChI=1S/C24H44BN2P2/c1-21(2,3)28(22(4,5)6)17-26-19-15-13-14-16-20(19)27(25-26)18-29(23(7,8)9)24(10,11)12/h13-16H,17-18H2,1-12H3
InChIKeyPOWSVVFFNCVAOG-UHFFFAOYSA-N
XLogP7.92
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.39
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 119079267?
The IUPAC name of CID 119079267 (CID 119079267) is not available.
What is the SMILES notation for CID 119079267?
The canonical SMILES for CID 119079267 is CC(C)(C)P(CN1[B]N(CP(C(C)(C)C)C(C)(C)C)c2ccccc21)C(C)(C)C.
What is the InChIKey of CID 119079267?
The InChIKey is POWSVVFFNCVAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44BN2P2/c1-21(2,3)28(22(4,5)6)17-26-19-15-13-14-16-20(19)27(25-26)18-29(23(7,8)9)24(10,11)12/h13-16H,17-18H2,1-12H3.
What are the key properties of CID 119079267?
CID 119079267 has a molecular weight of 433.39 g/mol, XLogP of 7.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119079267 is sourced from PubChem (CID 119079267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).