CID 122408835

C20H36BN2P2 — CID 122408835

IUPAC—
SMILESCC(C)P(CN1[B]N(CP(C(C)C)C(C)C)c2ccccc21)C(C)C
InChIInChI=1S/C20H36BN2P2/c1-15(2)24(16(3)4)13-22-19-11-9-10-12-20(19)23(21-22)14-25(17(5)6)18(7)8/h9-12,15-18H,13-14H2,1-8H3
InChIKeySAEOUUNJPPOBPW-UHFFFAOYSA-N
MW377.28 g/mol
LogP6.36
Rot. Bonds8

About CID 122408835

CID 122408835 (PubChem CID 122408835) has the molecular formula C20H36BN2P2 and a molecular weight of 377.28 g/mol.

Molecular Properties

Compound NameCID 122408835
PubChem CID122408835
Molecular FormulaC20H36BN2P2
Molecular Weight377.28 g/mol
Exact Mass377.24
IUPAC Name—
SMILESCC(C)P(CN1[B]N(CP(C(C)C)C(C)C)c2ccccc21)C(C)C
InChIInChI=1S/C20H36BN2P2/c1-15(2)24(16(3)4)13-22-19-11-9-10-12-20(19)23(21-22)14-25(17(5)6)18(7)8/h9-12,15-18H,13-14H2,1-8H3
InChIKeySAEOUUNJPPOBPW-UHFFFAOYSA-N
XLogP6.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.28
LogP ≤ 56.36
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 122408835?
The IUPAC name of CID 122408835 (CID 122408835) is not available.
What is the SMILES notation for CID 122408835?
The canonical SMILES for CID 122408835 is CC(C)P(CN1[B]N(CP(C(C)C)C(C)C)c2ccccc21)C(C)C.
What is the InChIKey of CID 122408835?
The InChIKey is SAEOUUNJPPOBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36BN2P2/c1-15(2)24(16(3)4)13-22-19-11-9-10-12-20(19)23(21-22)14-25(17(5)6)18(7)8/h9-12,15-18H,13-14H2,1-8H3.
What are the key properties of CID 122408835?
CID 122408835 has a molecular weight of 377.28 g/mol, XLogP of 6.36, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 122408835 is sourced from PubChem (CID 122408835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).