CID 119079254

C32H52BN2P2 — CID 119079254

IUPAC—
SMILES[B]1N(CP(C2CCCCC2)C2CCCCC2)c2ccccc2N1CP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H52BN2P2/c1-5-15-27(16-6-1)36(28-17-7-2-8-18-28)25-34-31-23-13-14-24-32(31)35(33-34)26-37(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h13-14,23-24,27-30H,1-12,15-22,25-26H2
InChIKeyLCSZMGOFBXYBGE-UHFFFAOYSA-N
MW537.54 g/mol
LogP10.06
Rot. Bonds8

About CID 119079254

CID 119079254 (PubChem CID 119079254) has the molecular formula C32H52BN2P2 and a molecular weight of 537.54 g/mol.

Molecular Properties

Compound NameCID 119079254
PubChem CID119079254
Molecular FormulaC32H52BN2P2
Molecular Weight537.54 g/mol
Exact Mass537.37
IUPAC Name—
SMILES[B]1N(CP(C2CCCCC2)C2CCCCC2)c2ccccc2N1CP(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C32H52BN2P2/c1-5-15-27(16-6-1)36(28-17-7-2-8-18-28)25-34-31-23-13-14-24-32(31)35(33-34)26-37(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h13-14,23-24,27-30H,1-12,15-22,25-26H2
InChIKeyLCSZMGOFBXYBGE-UHFFFAOYSA-N
XLogP10.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.54
LogP ≤ 510.06
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 119079254?
The IUPAC name of CID 119079254 (CID 119079254) is not available.
What is the SMILES notation for CID 119079254?
The canonical SMILES for CID 119079254 is [B]1N(CP(C2CCCCC2)C2CCCCC2)c2ccccc2N1CP(C1CCCCC1)C1CCCCC1.
What is the InChIKey of CID 119079254?
The InChIKey is LCSZMGOFBXYBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52BN2P2/c1-5-15-27(16-6-1)36(28-17-7-2-8-18-28)25-34-31-23-13-14-24-32(31)35(33-34)26-37(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h13-14,23-24,27-30H,1-12,15-22,25-26H2.
What are the key properties of CID 119079254?
CID 119079254 has a molecular weight of 537.54 g/mol, XLogP of 10.06, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 119079254 is sourced from PubChem (CID 119079254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).