[3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate

C104H60F36O10P6 — CID 159173587

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(OPc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C(=O)OC)cc3ccccc23)c1OPc1cc(C(F)(F)F)cc(C(F)(F)F)c1.FC(F)(F)c1cc(POc2ccc3ccccc3c2-c2c(OPc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc3ccccc23)cc(C(F)(F)F)c1.FC(F)(F)c1cc(POc2ccccc2-c2ccccc2OPc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C40H24F12O6P2.C36H20F12O2P2.C28H16F12O2P2/c1-55-35(53)29-11-19-7-3-5-9-27(19)31(33(29)57-59-25-15-21(37(41,42)43)13-22(16-25)38(44,45)46)32-28-10-6-4-8-20(28)12-30(36(54)56-2)34(32)58-60-26-17-23(39(47,48)49)14-24(18-26)40(50,51)52;37-33(38,39)21-13-22(34(40,41)42)16-25(15-21)51-49-29-11-9-19-5-1-3-7-27(19)31(29)32-28-8-4-2-6-20(28)10-12-30(32)50-52-26-17-23(35(43,44)45)14-24(18-26)36(46,47)48;29-25(30,31)15-9-16(26(32,33)34)12-19(11-15)43-41-23-7-3-1-5-21(23)22-6-2-4-8-24(22)42-44-20-13-17(27(35,36)37)10-18(14-20)28(38,39)40/h3-18,59-60H,1-2H3;1-18,51-52H;1-14,43-44H
InChIKeyKLZNFPQAMPGFDH-UHFFFAOYSA-N
MW2339.39 g/mol
LogP34.26
Rot. Bonds23

About [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate

[3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate (PubChem CID 159173587) has the molecular formula C104H60F36O10P6 and a molecular weight of 2339.39 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate
PubChem CID159173587
Molecular FormulaC104H60F36O10P6
Molecular Weight2339.39 g/mol
Exact Mass2338.20
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(-c2c(OPc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C(=O)OC)cc3ccccc23)c1OPc1cc(C(F)(F)F)cc(C(F)(F)F)c1.FC(F)(F)c1cc(POc2ccc3ccccc3c2-c2c(OPc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc3ccccc23)cc(C(F)(F)F)c1.FC(F)(F)c1cc(POc2ccccc2-c2ccccc2OPc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C40H24F12O6P2.C36H20F12O2P2.C28H16F12O2P2/c1-55-35(53)29-11-19-7-3-5-9-27(19)31(33(29)57-59-25-15-21(37(41,42)43)13-22(16-25)38(44,45)46)32-28-10-6-4-8-20(28)12-30(36(54)56-2)34(32)58-60-26-17-23(39(47,48)49)14-24(18-26)40(50,51)52;37-33(38,39)21-13-22(34(40,41)42)16-25(15-21)51-49-29-11-9-19-5-1-3-7-27(19)31(29)32-28-8-4-2-6-20(28)10-12-30(32)50-52-26-17-23(35(43,44)45)14-24(18-26)36(46,47)48;29-25(30,31)15-9-16(26(32,33)34)12-19(11-15)43-41-23-7-3-1-5-21(23)22-6-2-4-8-24(22)42-44-20-13-17(27(35,36)37)10-18(14-20)28(38,39)40/h3-18,59-60H,1-2H3;1-18,51-52H;1-14,43-44H
InChIKeyKLZNFPQAMPGFDH-UHFFFAOYSA-N
XLogP34.26
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds23
Heavy Atoms156
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002339.39
LogP ≤ 534.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate (CID 159173587) is [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate is COC(=O)c1cc2ccccc2c(-c2c(OPc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(C(=O)OC)cc3ccccc23)c1OPc1cc(C(F)(F)F)cc(C(F)(F)F)c1.FC(F)(F)c1cc(POc2ccc3ccccc3c2-c2c(OPc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc3ccccc23)cc(C(F)(F)F)c1.FC(F)(F)c1cc(POc2ccccc2-c2ccccc2OPc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate?
The InChIKey is KLZNFPQAMPGFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H24F12O6P2.C36H20F12O2P2.C28H16F12O2P2/c1-55-35(53)29-11-19-7-3-5-9-27(19)31(33(29)57-59-25-15-21(37(41,42)43)13-22(16-25)38(44,45)46)32-28-10-6-4-8-20(28)12-30(36(54)56-2)34(32)58-60-26-17-23(39(47,48)49)14-24(18-26)40(50,51)52;37-33(38,39)21-13-22(34(40,41)42)16-25(15-21)51-49-29-11-9-19-5-1-3-7-27(19)31(29)32-28-8-4-2-6-20(28)10-12-30(32)50-52-26-17-23(35(43,44)45)14-24(18-26)36(46,47)48;29-25(30,31)15-9-16(26(32,33)34)12-19(11-15)43-41-23-7-3-1-5-21(23)22-6-2-4-8-24(22)42-44-20-13-17(27(35,36)37)10-18(14-20)28(38,39)40/h3-18,59-60H,1-2H3;1-18,51-52H;1-14,43-44H.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate?
[3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate has a molecular weight of 2339.39 g/mol, XLogP of 34.26, 23 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-[1-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxynaphthalen-1-yl]naphthalen-2-yl]oxyphosphane;[3,5-bis(trifluoromethyl)phenyl]-[2-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxyphenyl]phenoxy]phosphane;methyl 3-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-4-[2-[3,5-bis(trifluoromethyl)phenyl]phosphanyloxy-3-methoxycarbonylnaphthalen-1-yl]naphthalene-2-carboxylate is sourced from PubChem (CID 159173587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).