benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium

C36H14CrF20O3P2 — CID 134899289

IUPACbenzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium
SMILESFc1c(F)c(F)c(P(O[C@@H]2CCC[C@H]2OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[C-]#[O+].[Cr].c1ccccc1
InChIInChI=1S/C29H8F20O2P2.C6H6.CO.Cr/c30-6-10(34)18(42)26(19(43)11(6)35)52(27-20(44)12(36)7(31)13(37)21(27)45)50-4-2-1-3-5(4)51-53(28-22(46)14(38)8(32)15(39)23(28)47)29-24(48)16(40)9(33)17(41)25(29)49;1-2-4-6-5-3-1;1-2;/h4-5H,1-3H2;1-6H;;/t4-,5-;;;/m1.../s1
InChIKeyAEKZMMRCMPIGPL-QTCPXKCSSA-N
MW988.41 g/mol
LogP10.47
Rot. Bonds8

About benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium

benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium (PubChem CID 134899289) has the molecular formula C36H14CrF20O3P2 and a molecular weight of 988.41 g/mol. Its IUPAC name is benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium.

Molecular Properties

Compound Namebenzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium
PubChem CID134899289
Molecular FormulaC36H14CrF20O3P2
Molecular Weight988.41 g/mol
Exact Mass987.95
IUPAC Namebenzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium
SMILESFc1c(F)c(F)c(P(O[C@@H]2CCC[C@H]2OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[C-]#[O+].[Cr].c1ccccc1
InChIInChI=1S/C29H8F20O2P2.C6H6.CO.Cr/c30-6-10(34)18(42)26(19(43)11(6)35)52(27-20(44)12(36)7(31)13(37)21(27)45)50-4-2-1-3-5(4)51-53(28-22(46)14(38)8(32)15(39)23(28)47)29-24(48)16(40)9(33)17(41)25(29)49;1-2-4-6-5-3-1;1-2;/h4-5H,1-3H2;1-6H;;/t4-,5-;;;/m1.../s1
InChIKeyAEKZMMRCMPIGPL-QTCPXKCSSA-N
XLogP10.47
TPSA38.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500988.41
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium with MolForge

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Related Compounds

[(1R,2R)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
CID 21111792
[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
CID 11115805
[(1S,2S)-2-bis(4-fluorophenyl)phosphanyloxycyclohexyl]oxy-bis(4-fluorophenyl)phosphane
CID 100971064
[(1S,2S)-2-bis(3,5-difluorophenyl)phosphanyloxycyclohexyl]oxy-bis(3,5-difluorophenyl)phosphane
CID 10794037
[2-Bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane
CID 85404676
1-[[(1S,2S)-2-bis(4-fluorophenyl)phosphoryloxycyclohexyl]oxy-(4-fluorophenyl)phosphoryl]-4-fluorobenzene
CID 100991891
(2-Diphenylphosphanyloxycyclopentyl)oxy-diphenylphosphane
CID 13296400
Cyclopentyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139734320
Cyclohexyloxy(triphenyl)phosphanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139734538

Frequently Asked Questions

What is the IUPAC name of benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium?
The IUPAC name of benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium (CID 134899289) is benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium.
What is the SMILES notation for benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium?
The canonical SMILES for benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium is Fc1c(F)c(F)c(P(O[C@@H]2CCC[C@H]2OP(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[C-]#[O+].[Cr].c1ccccc1.
What is the InChIKey of benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium?
The InChIKey is AEKZMMRCMPIGPL-QTCPXKCSSA-N. The full InChI is InChI=1S/C29H8F20O2P2.C6H6.CO.Cr/c30-6-10(34)18(42)26(19(43)11(6)35)52(27-20(44)12(36)7(31)13(37)21(27)45)50-4-2-1-3-5(4)51-53(28-22(46)14(38)8(32)15(39)23(28)47)29-24(48)16(40)9(33)17(41)25(29)49;1-2-4-6-5-3-1;1-2;/h4-5H,1-3H2;1-6H;;/t4-,5-;;;/m1.../s1.
What are the key properties of benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium?
benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium has a molecular weight of 988.41 g/mol, XLogP of 10.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;[(1R,2R)-2-bis(2,3,4,5,6-pentafluorophenyl)phosphanyloxycyclopentyl]oxy-bis(2,3,4,5,6-pentafluorophenyl)phosphane;carbon monoxide;chromium is sourced from PubChem (CID 134899289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).