[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane

C48H28F12P2 — CID 21470378

IUPAC[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C48H28F12P2/c49-45(50,51)31-11-19-35(20-12-31)61(36-21-13-32(14-22-36)46(52,53)54)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)62(37-23-15-33(16-24-37)47(55,56)57)38-25-17-34(18-26-38)48(58,59)60/h1-28H
InChIKeyUPWLSJDPJDITKL-UHFFFAOYSA-N
MW894.68 g/mol
LogP13.25
Rot. Bonds7

About [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane

[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 21470378) has the molecular formula C48H28F12P2 and a molecular weight of 894.68 g/mol. Its IUPAC name is [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
PubChem CID21470378
Molecular FormulaC48H28F12P2
Molecular Weight894.68 g/mol
Exact Mass894.15
IUPAC Name[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)ccc3ccccc23)cc1
InChIInChI=1S/C48H28F12P2/c49-45(50,51)31-11-19-35(20-12-31)61(36-21-13-32(14-22-36)46(52,53)54)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)62(37-23-15-33(16-24-37)47(55,56)57)38-25-17-34(18-26-38)48(58,59)60/h1-28H
InChIKeyUPWLSJDPJDITKL-UHFFFAOYSA-N
XLogP13.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500894.68
LogP ≤ 513.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[[1-[2-bis(4-hydroxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-(4-hydroxyphenyl)phosphanyl]phenol
CID 102082604
bis([1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane);bis(rhodium);dihydrate
CID 73162021
[1-[2-bis(4-methoxyphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methoxyphenyl)phosphane
CID 10462740
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium;dihydrobromide
CID 173284385
[1-[2-bis(4-methylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(4-methylphenyl)phosphane;ruthenium(2+);dichloride
CID 173032958
carbon monoxide;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium
CID 139254479
diphenyl-[1-(2-phosphanylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 59732549
[1-(2-methylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane
CID 21335175
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-methyl-phenylphosphane
CID 11981183
[1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane
CID 4189905
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]thiourea
CID 53356393
[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;ruthenium(1+);acetate
CID 21202945

Frequently Asked Questions

What is the IUPAC name of [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane (CID 21470378) is [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)c2ccc3ccccc3c2-c2c(P(c3ccc(C(F)(F)F)cc3)c3ccc(C(F)(F)F)cc3)ccc3ccccc23)cc1.
What is the InChIKey of [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is UPWLSJDPJDITKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28F12P2/c49-45(50,51)31-11-19-35(20-12-31)61(36-21-13-32(14-22-36)46(52,53)54)41-27-9-29-5-1-3-7-39(29)43(41)44-40-8-4-2-6-30(40)10-28-42(44)62(37-23-15-33(16-24-37)47(55,56)57)38-25-17-34(18-26-38)48(58,59)60/h1-28H.
What are the key properties of [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane?
[1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 894.68 g/mol, XLogP of 13.25, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 21470378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).