(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane

C65H75IN2P4 — CID 157448655

IUPAC(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane
SMILESC.CCCCN(P(c1ccccc1)c1ccccc1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.CCCCNP1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.IP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NP2.C20H26NP.C12H10IP.CH4/c1-2-3-26-33(34(29-20-12-6-13-21-29)30-22-14-7-15-23-30)35-31(27-16-8-4-9-17-27)24-25-32(35)28-18-10-5-11-19-28;1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h4-23,31-32H,2-3,24-26H2,1H3;4-13,19-21H,2-3,14-16H2,1H3;1-10H;1H4/t31-,32-;19-,20-;;/m11../s1
InChIKeyBSNMWUKZAKFMSK-VYFUTUNDSA-N
MW1135.13 g/mol
LogP18.96
Rot. Bonds17

About (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane

(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane (PubChem CID 157448655) has the molecular formula C65H75IN2P4 and a molecular weight of 1135.13 g/mol. Its IUPAC name is (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane.

Molecular Properties

Compound Name(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane
PubChem CID157448655
Molecular FormulaC65H75IN2P4
Molecular Weight1135.13 g/mol
Exact Mass1134.39
IUPAC Name(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane
SMILESC.CCCCN(P(c1ccccc1)c1ccccc1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.CCCCNP1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.IP(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NP2.C20H26NP.C12H10IP.CH4/c1-2-3-26-33(34(29-20-12-6-13-21-29)30-22-14-7-15-23-30)35-31(27-16-8-4-9-17-27)24-25-32(35)28-18-10-5-11-19-28;1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h4-23,31-32H,2-3,24-26H2,1H3;4-13,19-21H,2-3,14-16H2,1H3;1-10H;1H4/t31-,32-;19-,20-;;/m11../s1
InChIKeyBSNMWUKZAKFMSK-VYFUTUNDSA-N
XLogP18.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001135.13
LogP ≤ 518.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'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
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
(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344024
(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344325
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
(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
N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine
CID 140850176
(2S,5S)-N-butyl-N-dinaphthalen-2-ylphosphanyl-2,5-diphenylphospholan-1-amine
CID 139332412
N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 140850127
(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344248
(2S,5S)-N-bis(3-phenylphenyl)phosphanyl-2,5-diphenyl-N-propylphospholan-1-amine
CID 148956825

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane?
The IUPAC name of (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) is (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane.
What is the SMILES notation for (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane?
The canonical SMILES for (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane is C.CCCCN(P(c1ccccc1)c1ccccc1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.CCCCNP1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.IP(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane?
The InChIKey is BSNMWUKZAKFMSK-VYFUTUNDSA-N. The full InChI is InChI=1S/C32H35NP2.C20H26NP.C12H10IP.CH4/c1-2-3-26-33(34(29-20-12-6-13-21-29)30-22-14-7-15-23-30)35-31(27-16-8-4-9-17-27)24-25-32(35)28-18-10-5-11-19-28;1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h4-23,31-32H,2-3,24-26H2,1H3;4-13,19-21H,2-3,14-16H2,1H3;1-10H;1H4/t31-,32-;19-,20-;;/m11../s1.
What are the key properties of (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane?
(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane has a molecular weight of 1135.13 g/mol, XLogP of 18.96, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane is sourced from PubChem (CID 157448655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).