cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron

C84H87F7FeO4P4 — CID 162300087

IUPACcyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron
SMILESC1CCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C(F)(F)F)c2)C(C)C2CCCC2c2ccccc2P(C2CCCCC2)C2CCCCC2)c1.FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1.[Fe]
InChIInChI=1S/C41H53F3P2.C38H24F4O4P2.C5H10.Fe/c1-28-22-29(2)25-35(24-28)45(36-26-30(3)23-32(27-36)41(42,43)44)31(4)37-19-13-20-38(37)39-18-11-12-21-40(39)46(33-14-7-5-8-15-33)34-16-9-6-10-17-34;39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2-4-5-3-1;/h11-12,18,21-27,31,33-34,37-38H,5-10,13-17,19-20H2,1-4H3;1-24H;1-5H2;
InChIKeyMRCWTCRUZWQDCZ-UHFFFAOYSA-N
MW1473.34 g/mol
LogP21.27
Rot. Bonds15

About cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron

cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron (PubChem CID 162300087) has the molecular formula C84H87F7FeO4P4 and a molecular weight of 1473.34 g/mol. Its IUPAC name is cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron.

Molecular Properties

Compound Namecyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron
PubChem CID162300087
Molecular FormulaC84H87F7FeO4P4
Molecular Weight1473.34 g/mol
Exact Mass1472.48
IUPAC Namecyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron
SMILESC1CCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C(F)(F)F)c2)C(C)C2CCCC2c2ccccc2P(C2CCCCC2)C2CCCCC2)c1.FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1.[Fe]
InChIInChI=1S/C41H53F3P2.C38H24F4O4P2.C5H10.Fe/c1-28-22-29(2)25-35(24-28)45(36-26-30(3)23-32(27-36)41(42,43)44)31(4)37-19-13-20-38(37)39-18-11-12-21-40(39)46(33-14-7-5-8-15-33)34-16-9-6-10-17-34;39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2-4-5-3-1;/h11-12,18,21-27,31,33-34,37-38H,5-10,13-17,19-20H2,1-4H3;1-24H;1-5H2;
InChIKeyMRCWTCRUZWQDCZ-UHFFFAOYSA-N
XLogP21.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001473.34
LogP ≤ 521.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron with MolForge

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Related Compounds

[2-[2-[(1R)-1-bis[3-methyl-5-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]phenyl]-dicyclohexylphosphane;(1R,2R)-2-tert-butyl-1-[(1R,2R)-2-tert-butyl-1,3-dihydroisophosphindol-1-yl]-1,3-dihydroisophosphindole;cyclopentane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;(17-diphenylphosphanyl-8,12-dioxatricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaen-3-yl)-diphenylphosphane;iron
CID 162274489
cyclopentane;dicyclohexyl-[2-[2-[(1R)-1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;iron
CID 162302609
bis[3,5-bis(trifluoromethyl)phenyl]-[1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;cyclopentane;iron
CID 155886280
carbanide;cyclopentane;dicyclohexyl-[(1R)-1-[2-(2-diphenylphosphanylphenyl)cyclopentyl]ethyl]phosphane;iron(2+)
CID 155819532
bis[3,5-bis(trifluoromethyl)phenyl]-[[2-(2-dicyclohexylphosphanylphenyl)cyclopentyl]methyl]phosphane
CID 90921653
[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;ruthenium(2+);dichloride
CID 51001061
(S)-bis[3,5-bis(trifluoromethyl)phenyl]phosphanyl-[2-[2-bis[4-methoxy-3,5-bis(trifluoromethyl)phenyl]phosphanylphenyl]cyclopentyl]methanamine
CID 166984282
[3-methyl-5-(trifluoromethyl)phenyl]-diphenylphosphane
CID 19764736
dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane
CID 58152982
[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-6,7-dihydro-1,3-benzodioxol-5-yl]-diphenylphosphane
CID 123857209
argon;[4-(5-diphenylphosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]-diphenylphosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;[4-(5-phosphanyl-1,3-benzodioxol-4-yl)-1,3-benzodioxol-5-yl]phosphane;(2,4,6-tritert-butylphenyl) hypoiodite
CID 160523048
bis[3,5-bis(trifluoromethyl)phenyl]-[2-[(1S)-1-dicyclohexylphosphanylethyl]cyclopentyl]phosphane
CID 89432891

Frequently Asked Questions

What is the IUPAC name of cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron?
The IUPAC name of cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron (CID 162300087) is cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron.
What is the SMILES notation for cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron?
The canonical SMILES for cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron is C1CCCC1.Cc1cc(C)cc(P(c2cc(C)cc(C(F)(F)F)c2)C(C)C2CCCC2c2ccccc2P(C2CCCCC2)C2CCCCC2)c1.FC1(F)Oc2ccc(P(c3ccccc3)c3ccccc3)c(-c3c(P(c4ccccc4)c4ccccc4)ccc4c3OC(F)(F)O4)c2O1.[Fe].
What is the InChIKey of cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron?
The InChIKey is MRCWTCRUZWQDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H53F3P2.C38H24F4O4P2.C5H10.Fe/c1-28-22-29(2)25-35(24-28)45(36-26-30(3)23-32(27-36)41(42,43)44)31(4)37-19-13-20-38(37)39-18-11-12-21-40(39)46(33-14-7-5-8-15-33)34-16-9-6-10-17-34;39-37(40)43-29-21-23-31(47(25-13-5-1-6-14-25)26-15-7-2-8-16-26)33(35(29)45-37)34-32(24-22-30-36(34)46-38(41,42)44-30)48(27-17-9-3-10-18-27)28-19-11-4-12-20-28;1-2-4-5-3-1;/h11-12,18,21-27,31,33-34,37-38H,5-10,13-17,19-20H2,1-4H3;1-24H;1-5H2;.
What are the key properties of cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron?
cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron has a molecular weight of 1473.34 g/mol, XLogP of 21.27, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;dicyclohexyl-[2-[2-[1-[(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]phosphanyl]ethyl]cyclopentyl]phenyl]phosphane;[4-(5-diphenylphosphanyl-2,2-difluoro-1,3-benzodioxol-4-yl)-2,2-difluoro-1,3-benzodioxol-5-yl]-diphenylphosphane;iron is sourced from PubChem (CID 162300087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).