(1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine

C36H32NP — CID 23656220

IUPAC(1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
SMILESC[C@@H](c1ccc2ccccc2c1)N([C@@H](C)c1ccc2ccccc2c1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H32NP/c1-27(31-23-21-29-13-9-11-15-33(29)25-31)37(28(2)32-24-22-30-14-10-12-16-34(30)26-32)38(35-17-5-3-6-18-35)36-19-7-4-8-20-36/h3-28H,1-2H3/t27-,28-/m0/s1
InChIKeyHQEIUBTVPIYEPA-NSOVKSMOSA-N
MW509.63 g/mol
LogP9.17
Rot. Bonds7

About (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine

(1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine (PubChem CID 23656220) has the molecular formula C36H32NP and a molecular weight of 509.63 g/mol. Its IUPAC name is (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
PubChem CID23656220
Molecular FormulaC36H32NP
Molecular Weight509.63 g/mol
Exact Mass509.23
IUPAC Name(1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine
SMILESC[C@@H](c1ccc2ccccc2c1)N([C@@H](C)c1ccc2ccccc2c1)P(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H32NP/c1-27(31-23-21-29-13-9-11-15-33(29)25-31)37(28(2)32-24-22-30-14-10-12-16-34(30)26-32)38(35-17-5-3-6-18-35)36-19-7-4-8-20-36/h3-28H,1-2H3/t27-,28-/m0/s1
InChIKeyHQEIUBTVPIYEPA-NSOVKSMOSA-N
XLogP9.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.63
LogP ≤ 59.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 11445600
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CID 44423441
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Frequently Asked Questions

What is the IUPAC name of (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The IUPAC name of (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine (CID 23656220) is (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine.
What is the SMILES notation for (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The canonical SMILES for (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine is C[C@@H](c1ccc2ccccc2c1)N([C@@H](C)c1ccc2ccccc2c1)P(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
The InChIKey is HQEIUBTVPIYEPA-NSOVKSMOSA-N. The full InChI is InChI=1S/C36H32NP/c1-27(31-23-21-29-13-9-11-15-33(29)25-31)37(28(2)32-24-22-30-14-10-12-16-34(30)26-32)38(35-17-5-3-6-18-35)36-19-7-4-8-20-36/h3-28H,1-2H3/t27-,28-/m0/s1.
What are the key properties of (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine?
(1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine has a molecular weight of 509.63 g/mol, XLogP of 9.17, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-diphenylphosphanyl-1-naphthalen-2-yl-N-[(1S)-1-naphthalen-2-ylethyl]ethanamine is sourced from PubChem (CID 23656220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).