(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

C183H192Cr5F6N5O4P11 — CID 164979928

IUPAC(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
SMILESCCCCN(P(c1ccccc1)c1ccccc1)P1c2ccccc2C[C@@H]1c1ccccc1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc(C)cc2)CC[C@H]1c1ccc(C)cc1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc3c(c2)CCCC3)CC[C@H]1c1ccc2c(c1)CCCC2.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc3c(c2)OCCO3)CC[C@H]1c1ccc2c(c1)OCCO2.[Cr].[Cr].[Cr].[Cr].[Cr].c1ccc([C@H]2CC[C@H](c3ccccc3)P2N(CCCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H42NP3.C40H45F2NP2.C36H37F2NO4P2.C34H37F2NP2.C30H31NP2.5Cr/c1-7-20-36(21-8-1)42-32-33-43(37-22-9-2-10-23-37)47(42)44(46(40-28-15-5-16-29-40)41-30-17-6-18-31-41)34-19-35-45(38-24-11-3-12-25-38)39-26-13-4-14-27-39;1-2-3-26-43(45(39-18-10-8-16-35(39)41)40-19-11-9-17-36(40)42)44-37(33-22-20-29-12-4-6-14-31(29)27-33)24-25-38(44)34-23-21-30-13-5-7-15-32(30)28-34;1-2-3-18-39(45(35-10-6-4-8-27(35)37)36-11-7-5-9-28(36)38)44-33(25-12-14-29-31(23-25)42-21-19-40-29)16-17-34(44)26-13-15-30-32(24-26)43-22-20-41-30;1-4-5-24-37(39(33-12-8-6-10-29(33)35)34-13-9-7-11-30(34)36)38-31(27-18-14-25(2)15-19-27)22-23-32(38)28-20-16-26(3)17-21-28;1-2-3-23-31(32(27-18-9-5-10-19-27)28-20-11-6-12-21-28)33-29-22-14-13-17-26(29)24-30(33)25-15-7-4-8-16-25;;;;;/h1-18,20-31,42-43H,19,32-35H2;8-11,16-23,27-28,37-38H,2-7,12-15,24-26H2,1H3;4-15,23-24,33-34H,2-3,16-22H2,1H3;6-21,31-32H,4-5,22-24H2,1-3H3;4-22,30H,2-3,23-24H2,1H3;;;;;/t42-,43-;37-,38-;33-,34-;31-,32-;30-,33?;;;;;/m10001...../s1
InChIKeyFIJTVUQZUCXTMV-QBBFHBRNSA-N
MW3240.26 g/mol
LogP46.86
Rot. Bonds47

About (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

(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 (PubChem CID 164979928) has the molecular formula C183H192Cr5F6N5O4P11 and a molecular weight of 3240.26 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164979928
Molecular FormulaC183H192Cr5F6N5O4P11
Molecular Weight3240.26 g/mol
Exact Mass3237.90
IUPAC Name(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
SMILESCCCCN(P(c1ccccc1)c1ccccc1)P1c2ccccc2C[C@@H]1c1ccccc1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc(C)cc2)CC[C@H]1c1ccc(C)cc1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc3c(c2)CCCC3)CC[C@H]1c1ccc2c(c1)CCCC2.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc3c(c2)OCCO3)CC[C@H]1c1ccc2c(c1)OCCO2.[Cr].[Cr].[Cr].[Cr].[Cr].c1ccc([C@H]2CC[C@H](c3ccccc3)P2N(CCCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C43H42NP3.C40H45F2NP2.C36H37F2NO4P2.C34H37F2NP2.C30H31NP2.5Cr/c1-7-20-36(21-8-1)42-32-33-43(37-22-9-2-10-23-37)47(42)44(46(40-28-15-5-16-29-40)41-30-17-6-18-31-41)34-19-35-45(38-24-11-3-12-25-38)39-26-13-4-14-27-39;1-2-3-26-43(45(39-18-10-8-16-35(39)41)40-19-11-9-17-36(40)42)44-37(33-22-20-29-12-4-6-14-31(29)27-33)24-25-38(44)34-23-21-30-13-5-7-15-32(30)28-34;1-2-3-18-39(45(35-10-6-4-8-27(35)37)36-11-7-5-9-28(36)38)44-33(25-12-14-29-31(23-25)42-21-19-40-29)16-17-34(44)26-13-15-30-32(24-26)43-22-20-41-30;1-4-5-24-37(39(33-12-8-6-10-29(33)35)34-13-9-7-11-30(34)36)38-31(27-18-14-25(2)15-19-27)22-23-32(38)28-20-16-26(3)17-21-28;1-2-3-23-31(32(27-18-9-5-10-19-27)28-20-11-6-12-21-28)33-29-22-14-13-17-26(29)24-30(33)25-15-7-4-8-16-25;;;;;/h1-18,20-31,42-43H,19,32-35H2;8-11,16-23,27-28,37-38H,2-7,12-15,24-26H2,1H3;4-15,23-24,33-34H,2-3,16-22H2,1H3;6-21,31-32H,4-5,22-24H2,1-3H3;4-22,30H,2-3,23-24H2,1H3;;;;;/t42-,43-;37-,38-;33-,34-;31-,32-;30-,33?;;;;;/m10001...../s1
InChIKeyFIJTVUQZUCXTMV-QBBFHBRNSA-N
XLogP46.86
TPSA53.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds47
Heavy Atoms214
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003240.26
LogP ≤ 546.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCCCN(P(c1ccccc1)c1ccccc1)P1c2ccccc2C[C@@H]1c1ccccc1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc(C)cc2)CC[C@H]1c1ccc(C)cc1.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc3c(c2)CCCC3)CC[C@H]1c1ccc2c(c1)CCCC2.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@H](c2ccc3c(c2)OCCO3)CC[C@H]1c1ccc2c(c1)OCCO2.[Cr].[Cr].[Cr].[Cr].[Cr].c1ccc([C@H]2CC[C@H](c3ccccc3)P2N(CCCP(c2ccccc2)c2ccccc2)P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (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?
The InChIKey is FIJTVUQZUCXTMV-QBBFHBRNSA-N. The full InChI is InChI=1S/C43H42NP3.C40H45F2NP2.C36H37F2NO4P2.C34H37F2NP2.C30H31NP2.5Cr/c1-7-20-36(21-8-1)42-32-33-43(37-22-9-2-10-23-37)47(42)44(46(40-28-15-5-16-29-40)41-30-17-6-18-31-41)34-19-35-45(38-24-11-3-12-25-38)39-26-13-4-14-27-39;1-2-3-26-43(45(39-18-10-8-16-35(39)41)40-19-11-9-17-36(40)42)44-37(33-22-20-29-12-4-6-14-31(29)27-33)24-25-38(44)34-23-21-30-13-5-7-15-32(30)28-34;1-2-3-18-39(45(35-10-6-4-8-27(35)37)36-11-7-5-9-28(36)38)44-33(25-12-14-29-31(23-25)42-21-19-40-29)16-17-34(44)26-13-15-30-32(24-26)43-22-20-41-30;1-4-5-24-37(39(33-12-8-6-10-29(33)35)34-13-9-7-11-30(34)36)38-31(27-18-14-25(2)15-19-27)22-23-32(38)28-20-16-26(3)17-21-28;1-2-3-23-31(32(27-18-9-5-10-19-27)28-20-11-6-12-21-28)33-29-22-14-13-17-26(29)24-30(33)25-15-7-4-8-16-25;;;;;/h1-18,20-31,42-43H,19,32-35H2;8-11,16-23,27-28,37-38H,2-7,12-15,24-26H2,1H3;4-15,23-24,33-34H,2-3,16-22H2,1H3;6-21,31-32H,4-5,22-24H2,1-3H3;4-22,30H,2-3,23-24H2,1H3;;;;;/t42-,43-;37-,38-;33-,34-;31-,32-;30-,33?;;;;;/m10001...../s1.
What are the key properties of (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?
(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 has a molecular weight of 3240.26 g/mol, XLogP of 46.86, 47 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 164979928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).