(6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide

C26H22NOP — CID 177435233

IUPAC(6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide
SMILESCc1cccc2c1-c1ccccc1N(Cc1ccccc1)[P@]2(=O)c1ccccc1
InChIInChI=1S/C26H22NOP/c1-20-11-10-18-25-26(20)23-16-8-9-17-24(23)27(19-21-12-4-2-5-13-21)29(25,28)22-14-6-3-7-15-22/h2-18H,19H2,1H3/t29-/m0/s1
InChIKeyXLERADMMDIMUEL-LJAQVGFWSA-N
MW395.44 g/mol
LogP5.91
Rot. Bonds3

About (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide

(6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide (PubChem CID 177435233) has the molecular formula C26H22NOP and a molecular weight of 395.44 g/mol. Its IUPAC name is (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide.

Molecular Properties

Compound Name(6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide
PubChem CID177435233
Molecular FormulaC26H22NOP
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name(6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide
SMILESCc1cccc2c1-c1ccccc1N(Cc1ccccc1)[P@]2(=O)c1ccccc1
InChIInChI=1S/C26H22NOP/c1-20-11-10-18-25-26(20)23-16-8-9-17-24(23)27(19-21-12-4-2-5-13-21)29(25,28)22-14-6-3-7-15-22/h2-18H,19H2,1H3/t29-/m0/s1
InChIKeyXLERADMMDIMUEL-LJAQVGFWSA-N
XLogP5.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.91
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 (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide?
The IUPAC name of (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide (CID 177435233) is (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide.
What is the SMILES notation for (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide?
The canonical SMILES for (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide is Cc1cccc2c1-c1ccccc1N(Cc1ccccc1)[P@]2(=O)c1ccccc1.
What is the InChIKey of (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide?
The InChIKey is XLERADMMDIMUEL-LJAQVGFWSA-N. The full InChI is InChI=1S/C26H22NOP/c1-20-11-10-18-25-26(20)23-16-8-9-17-24(23)27(19-21-12-4-2-5-13-21)29(25,28)22-14-6-3-7-15-22/h2-18H,19H2,1H3/t29-/m0/s1.
What are the key properties of (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide?
(6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide has a molecular weight of 395.44 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-benzyl-10-methyl-6-phenylbenzo[c][2,1]benzazaphosphinine 6-oxide is sourced from PubChem (CID 177435233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).