(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine

C40H39NP2 — CID 139332412

IUPAC(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1ccc2ccccc2c1)c1ccc2ccccc2c1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C40H39NP2/c1-2-3-28-41(43-39(33-16-6-4-7-17-33)26-27-40(43)34-18-8-5-9-19-34)42(37-24-22-31-14-10-12-20-35(31)29-37)38-25-23-32-15-11-13-21-36(32)30-38/h4-25,29-30,39-40H,2-3,26-28H2,1H3/t39-,40-/m0/s1
InChIKeyOMZNTDHGTJHRRR-ZAQUEYBZSA-N
MW595.71 g/mol
LogP11.12
Rot. Bonds9

About (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine

(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine (PubChem CID 139332412) has the molecular formula C40H39NP2 and a molecular weight of 595.71 g/mol. Its IUPAC name is (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound Name(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
PubChem CID139332412
Molecular FormulaC40H39NP2
Molecular Weight595.71 g/mol
Exact Mass595.26
IUPAC Name(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1ccc2ccccc2c1)c1ccc2ccccc2c1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C40H39NP2/c1-2-3-28-41(43-39(33-16-6-4-7-17-33)26-27-40(43)34-18-8-5-9-19-34)42(37-24-22-31-14-10-12-20-35(31)29-37)38-25-23-32-15-11-13-21-36(32)30-38/h4-25,29-30,39-40H,2-3,26-28H2,1H3/t39-,40-/m0/s1
InChIKeyOMZNTDHGTJHRRR-ZAQUEYBZSA-N
XLogP11.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.71
LogP ≤ 511.12
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

Binap, (A+-)-
CID 634876
Phosphine, 1,1'-[[1,1'-biphenyl]-2,2'-diylbis(methylene)]bis[1,1-diphenyl-
CID 10985391
1,8-(Diphenylphosphino)naphthalene
CID 2756729
(R)-(+)-2,2'-Bis(di(3,5-xylyl)phosphino)-1,1'-binaphthyl
CID 4189905
(S)-(-)-2,2'-Bis(di-p-tolylphosphino)-1, 1'-binaphthyl
CID 4189906
Trinaphthalen-1-yl-[[4-[[4-(trinaphthalen-1-ylphosphaniumylmethyl)phenyl]methyl]phenyl]methyl]phosphanium dibromide
CID 57341285
(R)-2,2'-Bis(bis(3,5-dimethylphenyl)phosphino)-5,5',6,6',7,7',8,8'-octahydro-1,1'-binaphthalene
CID 11982207
Naphos
CID 10952407
(1R)-[1,1'-Binaphthalen]-2-yldicyclohexylphosphine
CID 11430855
8,8'-Bis(diphenylphosphinomethyl)-1,1'-binaphthyl
CID 14950709
1,2-Bis(naphthalen-1-yl(phenyl)phosphanyl)ethane
CID 57347705
Triphenyl-[[8-(triphenylphosphaniumylmethyl)naphthalen-1-yl]methyl]phosphanium
CID 3681273

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine (CID 139332412) is (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine is CCCCN(P(c1ccc2ccccc2c1)c1ccc2ccccc2c1)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine?
The InChIKey is OMZNTDHGTJHRRR-ZAQUEYBZSA-N. The full InChI is InChI=1S/C40H39NP2/c1-2-3-28-41(43-39(33-16-6-4-7-17-33)26-27-40(43)34-18-8-5-9-19-34)42(37-24-22-31-14-10-12-20-35(31)29-37)38-25-23-32-15-11-13-21-36(32)30-38/h4-25,29-30,39-40H,2-3,26-28H2,1H3/t39-,40-/m0/s1.
What are the key properties of (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine?
(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine has a molecular weight of 595.71 g/mol, XLogP of 11.12, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 139332412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).