diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane

C109H104F5NO3P6S3 — CID 157181189

IUPACdiphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane
SMILESC.C.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Fc1c(F)c(F)c(P(c2ccccc2)c2ccccc2)c(F)c1F.c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc2c(P(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1.c1coc(P(c2ccco2)c2ccco2)c1.c1csc(P(c2cccs2)c2cccs2)c1
InChIInChI=1S/C30H21P.C18H10F5P.C18H33P.C17H14NP.C12H9O3P.C12H9PS3.2CH4/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30;19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12;;/h1-21H;1-10H;16-18H,1-15H2;1-14H;2*1-9H;2*1H4
InChIKeyAOOVNDLGWUTHGZ-UHFFFAOYSA-N
MW1853.07 g/mol
LogP27.48
Rot. Bonds18

About diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane

diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane (PubChem CID 157181189) has the molecular formula C109H104F5NO3P6S3 and a molecular weight of 1853.07 g/mol. Its IUPAC name is diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane.

Molecular Properties

Compound Namediphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane
PubChem CID157181189
Molecular FormulaC109H104F5NO3P6S3
Molecular Weight1853.07 g/mol
Exact Mass1851.55
IUPAC Namediphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane
SMILESC.C.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Fc1c(F)c(F)c(P(c2ccccc2)c2ccccc2)c(F)c1F.c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc2c(P(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1.c1coc(P(c2ccco2)c2ccco2)c1.c1csc(P(c2cccs2)c2cccs2)c1
InChIInChI=1S/C30H21P.C18H10F5P.C18H33P.C17H14NP.C12H9O3P.C12H9PS3.2CH4/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30;19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12;;/h1-21H;1-10H;16-18H,1-15H2;1-14H;2*1-9H;2*1H4
InChIKeyAOOVNDLGWUTHGZ-UHFFFAOYSA-N
XLogP27.48
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms127
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001853.07
LogP ≤ 527.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,4-Dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;2,5-dimethylthiophene;ethane;1-methyl-4-(4-methylphenyl)benzene;pyridine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,2-xylene;1,4-xylene
CID 157393415
Carbanide;ethane;furan;methane;2-methylpyridine;naphthalene;rhenium;rhodium;bis(rutherfordium);thiophene;toluene
CID 157438143
Ethane;furan;pyridine;thiophene;toluene;1,2,3-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157590119
Benzene;1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;ethane;furan;methane;1-methyl-4-phenylbenzene;2-methylpyridine;naphthalene;thiophene;toluene
CID 157783194
dibenzofuran;dibenzothiophene;ethane;methane;2-methylfuran;2-methylthiophene;phenanthrene;pyridine;(E)-stilbene;1,3,5-triphenylbenzene
CID 157786676
Ethane;furan;methane;naphthalene;pyridine;thiophene;toluene
CID 157856960
dibenzofuran;dibenzothiophene;ethane;furan;methane;phenanthrene;pyridine;(E)-stilbene;thiophene;1,3,5-triphenylbenzene
CID 158001717
Benzene;1,2-dimethyl-4-[(4-methylphenyl)methyl]benzene;ethane;furan;methane;1-methyl-4-phenylbenzene;2-methylpyridine;naphthalene;thiophene;toluene
CID 158012305
Bis(2,3-dimethylfuran);bis(2,3-dimethylpyridine);bis(2,3-dimethylthiophene);ethane;1,2-xylene
CID 158191566
Benzene;1,1'-biphenyl;9,9-diphenylfluorene;ethane;furan;methane;naphthalene;1-naphthalen-1-ylnaphthalene;1-naphthalen-2-ylnaphthalene;2-naphthalen-2-ylnaphthalene;1-phenylnaphthalene;2-phenylnaphthalene;pyridine;thiophene
CID 158277034
Ethane;furan;methane;naphthalene;pyridine;thiophene;toluene
CID 158324891
dibenzofuran;ethane;methane;2-methylfuran;2-methylthiophene;phenanthrene;pyridine;(E)-stilbene;1,3,5-triphenylbenzene
CID 158536471

Frequently Asked Questions

What is the IUPAC name of diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane?
The IUPAC name of diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane (CID 157181189) is diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane.
What is the SMILES notation for diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane?
The canonical SMILES for diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane is C.C.C1CCC(P(C2CCCCC2)C2CCCCC2)CC1.Fc1c(F)c(F)c(P(c2ccccc2)c2ccccc2)c(F)c1F.c1ccc(P(c2ccccc2)c2ccccn2)cc1.c1ccc2c(P(c3cccc4ccccc34)c3cccc4ccccc34)cccc2c1.c1coc(P(c2ccco2)c2ccco2)c1.c1csc(P(c2cccs2)c2cccs2)c1.
What is the InChIKey of diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane?
The InChIKey is AOOVNDLGWUTHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21P.C18H10F5P.C18H33P.C17H14NP.C12H9O3P.C12H9PS3.2CH4/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30;19-13-14(20)16(22)18(17(23)15(13)21)24(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)17-13-7-8-14-18-17;1-4-10(13-7-1)16(11-5-2-8-14-11)12-6-3-9-15-12;1-4-10(14-7-1)13(11-5-2-8-15-11)12-6-3-9-16-12;;/h1-21H;1-10H;16-18H,1-15H2;1-14H;2*1-9H;2*1H4.
What are the key properties of diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane?
diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane has a molecular weight of 1853.07 g/mol, XLogP of 27.48, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl(pyridin-2-yl)phosphane;methane;(2,3,4,5,6-pentafluorophenyl)-diphenylphosphane;tricyclohexylphosphane;trinaphthalen-1-ylphosphane;tris(furan-2-yl)phosphane;trithiophen-2-ylphosphane is sourced from PubChem (CID 157181189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).