(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine

C76H90F4N2P4 — CID 161127303

IUPAC(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine
SMILESCCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2cc(C)cc(C)c2)CC[C@H]1c1cc(C)cc(C)c1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc(C(C)(C)C)cc2)CC[C@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C40H49F2NP2.C36H41F2NP2/c1-8-9-28-43(45(37-16-12-10-14-33(37)41)38-17-13-11-15-34(38)42)44-35(29-18-22-31(23-19-29)39(2,3)4)26-27-36(44)30-20-24-32(25-21-30)40(5,6)7;1-6-7-18-39(41(35-14-10-8-12-31(35)37)36-15-11-9-13-32(36)38)40-33(29-21-25(2)19-26(3)22-29)16-17-34(40)30-23-27(4)20-28(5)24-30/h10-25,35-36H,8-9,26-28H2,1-7H3;8-15,19-24,33-34H,6-7,16-18H2,1-5H3/t35-,36-;33-,34-/m00/s1
InChIKeyULSPGJOMQSEAHS-PVFXJZNUSA-N
MW1231.46 g/mol
LogP22.00
Rot. Bonds18

About (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine

(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine (PubChem CID 161127303) has the molecular formula C76H90F4N2P4 and a molecular weight of 1231.46 g/mol. Its IUPAC name is (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine.

Molecular Properties

Compound Name(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine
PubChem CID161127303
Molecular FormulaC76H90F4N2P4
Molecular Weight1231.46 g/mol
Exact Mass1230.60
IUPAC Name(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine
SMILESCCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2cc(C)cc(C)c2)CC[C@H]1c1cc(C)cc(C)c1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc(C(C)(C)C)cc2)CC[C@H]1c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C40H49F2NP2.C36H41F2NP2/c1-8-9-28-43(45(37-16-12-10-14-33(37)41)38-17-13-11-15-34(38)42)44-35(29-18-22-31(23-19-29)39(2,3)4)26-27-36(44)30-20-24-32(25-21-30)40(5,6)7;1-6-7-18-39(41(35-14-10-8-12-31(35)37)36-15-11-9-13-32(36)38)40-33(29-21-25(2)19-26(3)22-29)16-17-34(40)30-23-27(4)20-28(5)24-30/h10-25,35-36H,8-9,26-28H2,1-7H3;8-15,19-24,33-34H,6-7,16-18H2,1-5H3/t35-,36-;33-,34-/m00/s1
InChIKeyULSPGJOMQSEAHS-PVFXJZNUSA-N
XLogP22.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001231.46
LogP ≤ 522.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine with MolForge

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Related Compounds

bis(2-fluorophenyl)-iodophosphane;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;N,N-diethylethanamine;methane
CID 162128225
(2R,5R)-N-bis(4-chloro-2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;(2R,5R)-N-butyl-N-dithiophen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine;chromium
CID 165093993
N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 140850127
(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344325
bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane
CID 159488264
(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344248
(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
(2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 138466205
(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
CID 139332412
(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(2,3-dihydro-1,4-benzodioxin-6-yl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-methylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(5,6,7,8-tetrahydronaphthalen-2-yl)phospholan-1-amine;(2R)-N-butyl-N-diphenylphosphanyl-2-phenyl-2,3-dihydrophosphindol-1-amine;chromium;(2R,5R)-N-diphenylphosphanyl-N-(3-diphenylphosphanylpropyl)-2,5-diphenylphospholan-1-amine
CID 164979928
(2R,5R)-N-butyl-N-[(3-tert-butyl-4-methoxyphenyl)-(3,5-ditert-butyl-4-methoxyphenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 162243387

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine?
The IUPAC name of (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine (CID 161127303) is (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine.
What is the SMILES notation for (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine?
The canonical SMILES for (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine is CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2cc(C)cc(C)c2)CC[C@H]1c1cc(C)cc(C)c1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc(C(C)(C)C)cc2)CC[C@H]1c1ccc(C(C)(C)C)cc1.
What is the InChIKey of (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine?
The InChIKey is ULSPGJOMQSEAHS-PVFXJZNUSA-N. The full InChI is InChI=1S/C40H49F2NP2.C36H41F2NP2/c1-8-9-28-43(45(37-16-12-10-14-33(37)41)38-17-13-11-15-34(38)42)44-35(29-18-22-31(23-19-29)39(2,3)4)26-27-36(44)30-20-24-32(25-21-30)40(5,6)7;1-6-7-18-39(41(35-14-10-8-12-31(35)37)36-15-11-9-13-32(36)38)40-33(29-21-25(2)19-26(3)22-29)16-17-34(40)30-23-27(4)20-28(5)24-30/h10-25,35-36H,8-9,26-28H2,1-7H3;8-15,19-24,33-34H,6-7,16-18H2,1-5H3/t35-,36-;33-,34-/m00/s1.
What are the key properties of (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine?
(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine has a molecular weight of 1231.46 g/mol, XLogP of 22.00, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine is sourced from PubChem (CID 161127303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).