bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)

C72H32F24O4Sn — CID 101387400

IUPACbis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)
SMILES[O-]c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c([O-])c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[O-]c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c([O-])c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[Sn+4]
InChIInChI=1S/2C36H18F12O2.Sn/c2*37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48;/h2*1-16,49-50H;/q;;+4/p-4
InChIKeyHJXAICANDMVAEI-UHFFFAOYSA-J
MW1535.71 g/mol
LogP22.05
Rot. Bonds6

About bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)

bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+) (PubChem CID 101387400) has the molecular formula C72H32F24O4Sn and a molecular weight of 1535.71 g/mol. Its IUPAC name is bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+).

Molecular Properties

Compound Namebis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)
PubChem CID101387400
Molecular FormulaC72H32F24O4Sn
Molecular Weight1535.71 g/mol
Exact Mass1536.09
IUPAC Namebis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)
SMILES[O-]c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c([O-])c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[O-]c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c([O-])c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[Sn+4]
InChIInChI=1S/2C36H18F12O2.Sn/c2*37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48;/h2*1-16,49-50H;/q;;+4/p-4
InChIKeyHJXAICANDMVAEI-UHFFFAOYSA-J
XLogP22.05
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001535.71
LogP ≤ 522.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-bis(trifluoromethyl)phenyl]-9-[1-[3,5-bis(trifluoromethyl)phenyl]anthracen-9-yl]anthracene
CID 172555386
dilithium;1-(2-oxido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-olate
CID 52936759
1-[2-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-2-amine
CID 132519351
3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-deuterionaphthalen-1-yl]-2-deuterionaphthalene
CID 175746601
6-(3-methyl-5-phenanthren-9-ylphenyl)-12-[3-phenanthren-9-yl-5-(trifluoromethyl)phenyl]chrysene
CID 89296439
4-[3,5-bis(trifluoromethyl)phenyl]-N-[4-[3,5-bis(trifluoromethyl)phenyl]naphthalen-1-yl]naphthalen-1-amine
CID 162717087
10,16-bis[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-13-hydroxy-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide
CID 46176937
N-[10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-oxido-12,14-dioxa-13-phosphoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]pyridin-2-amine
CID 122212040
N-[(1S,2S)-2-(benzylideneamino)-1,2-diphenylethyl]-1-phenylmethanimine;3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxynaphthalen-1-yl]naphthalen-2-ol;zinc
CID 11982281
3,15-bis[3,5-bis(trifluoromethyl)phenyl]-12,24-bis(3,5-ditert-butylphenyl)-12,24-diazahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14(23),15,17,19,21-undecaene
CID 132839418
1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]naphthalen-2-ol;zirconium(2+);dicyanide
CID 11297071
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839

Frequently Asked Questions

What is the IUPAC name of bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)?
The IUPAC name of bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+) (CID 101387400) is bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+).
What is the SMILES notation for bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)?
The canonical SMILES for bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+) is [O-]c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c([O-])c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[O-]c1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc2c1-c1c([O-])c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc2ccccc12.[Sn+4].
What is the InChIKey of bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)?
The InChIKey is HJXAICANDMVAEI-UHFFFAOYSA-J. The full InChI is InChI=1S/2C36H18F12O2.Sn/c2*37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29(31(27)49)30-26-8-4-2-6-18(26)14-28(32(30)50)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48;/h2*1-16,49-50H;/q;;+4/p-4.
What are the key properties of bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+)?
bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+) has a molecular weight of 1535.71 g/mol, XLogP of 22.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-[3,5-bis(trifluoromethyl)phenyl]-1-[3-[3,5-bis(trifluoromethyl)phenyl]-2-oxidonaphthalen-1-yl]naphthalen-2-olate);tin(4+) is sourced from PubChem (CID 101387400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).