N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine

C28H31NP2S2 — CID 140850176

IUPACN-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1ccsc1)c1ccsc1)P1C(c2ccccc2)CCC1c1ccccc1
InChIInChI=1S/C28H31NP2S2/c1-2-3-18-29(30(25-16-19-32-21-25)26-17-20-33-22-26)31-27(23-10-6-4-7-11-23)14-15-28(31)24-12-8-5-9-13-24/h4-13,16-17,19-22,27-28H,2-3,14-15,18H2,1H3
InChIKeyFEDJVHXRIDCLFN-UHFFFAOYSA-N
MW507.65 g/mol
LogP8.93
Rot. Bonds9

About N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine

N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine (PubChem CID 140850176) has the molecular formula C28H31NP2S2 and a molecular weight of 507.65 g/mol. Its IUPAC name is N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound NameN-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine
PubChem CID140850176
Molecular FormulaC28H31NP2S2
Molecular Weight507.65 g/mol
Exact Mass507.14
IUPAC NameN-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1ccsc1)c1ccsc1)P1C(c2ccccc2)CCC1c1ccccc1
InChIInChI=1S/C28H31NP2S2/c1-2-3-18-29(30(25-16-19-32-21-25)26-17-20-33-22-26)31-27(23-10-6-4-7-11-23)14-15-28(31)24-12-8-5-9-13-24/h4-13,16-17,19-22,27-28H,2-3,14-15,18H2,1H3
InChIKeyFEDJVHXRIDCLFN-UHFFFAOYSA-N
XLogP8.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.65
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,5S)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 134344067
(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine
CID 138466209
(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344325
N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 140850127
(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
CID 139332412
(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344248
(2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 138466205
(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane
CID 157448655
(2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine
CID 148956825
(2R,5R)-N-butyl-N-[(3-tert-butyl-4-methoxyphenyl)-(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 162243387
(1S,3R)-N-butyl-N-diphenylphosphanyl-1,3-diethyl-1,3-dihydroisophosphindol-2-amine
CID 134344233
(2R,5R)-N-diethylphosphanyl-N-methyl-2,5-diphenylphospholan-1-amine
CID 134343988

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine (CID 140850176) is N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine is CCCCN(P(c1ccsc1)c1ccsc1)P1C(c2ccccc2)CCC1c1ccccc1.
What is the InChIKey of N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine?
The InChIKey is FEDJVHXRIDCLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NP2S2/c1-2-3-18-29(30(25-16-19-32-21-25)26-17-20-33-22-26)31-27(23-10-6-4-7-11-23)14-15-28(31)24-12-8-5-9-13-24/h4-13,16-17,19-22,27-28H,2-3,14-15,18H2,1H3.
What are the key properties of N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine?
N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine has a molecular weight of 507.65 g/mol, XLogP of 8.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 140850176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).