CID 11621892

C23H27NP — CID 11621892

IUPAC—
SMILESCc1ccc(P([C]2[CH][CH][CH][C]2[C@H](C)N(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H27NP/c1-17-9-13-20(14-10-17)25(21-15-11-18(2)12-16-21)23-8-6-7-22(23)19(3)24(4)5/h6-16,19H,1-5H3/t19-/m0/s1
InChIKeyYAFPUWMZWWTNCK-IBGZPJMESA-N
MW348.45 g/mol
LogP4.42
Rot. Bonds5

About CID 11621892

CID 11621892 (PubChem CID 11621892) has the molecular formula C23H27NP and a molecular weight of 348.45 g/mol.

Molecular Properties

Compound NameCID 11621892
PubChem CID11621892
Molecular FormulaC23H27NP
Molecular Weight348.45 g/mol
Exact Mass348.19
IUPAC Name—
SMILESCc1ccc(P([C]2[CH][CH][CH][C]2[C@H](C)N(C)C)c2ccc(C)cc2)cc1
InChIInChI=1S/C23H27NP/c1-17-9-13-20(14-10-17)25(21-15-11-18(2)12-16-21)23-8-6-7-22(23)19(3)24(4)5/h6-16,19H,1-5H3/t19-/m0/s1
InChIKeyYAFPUWMZWWTNCK-IBGZPJMESA-N
XLogP4.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 11621892?
The IUPAC name of CID 11621892 (CID 11621892) is not available.
What is the SMILES notation for CID 11621892?
The canonical SMILES for CID 11621892 is Cc1ccc(P([C]2[CH][CH][CH][C]2[C@H](C)N(C)C)c2ccc(C)cc2)cc1.
What is the InChIKey of CID 11621892?
The InChIKey is YAFPUWMZWWTNCK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H27NP/c1-17-9-13-20(14-10-17)25(21-15-11-18(2)12-16-21)23-8-6-7-22(23)19(3)24(4)5/h6-16,19H,1-5H3/t19-/m0/s1.
What are the key properties of CID 11621892?
CID 11621892 has a molecular weight of 348.45 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11621892 is sourced from PubChem (CID 11621892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).