carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten

C29H20F3O5PW — CID 164677733

IUPACcarbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten
SMILESCc1cc(C)c(-c2c(-c3ccc(C(F)(F)F)cc3)[pH]c3ccccc23)c(C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C24H20F3P.5CO.W/c1-14-12-15(2)21(16(3)13-14)22-19-6-4-5-7-20(19)28-23(22)17-8-10-18(11-9-17)24(25,26)27;5*1-2;/h4-13,28H,1-3H3;;;;;;
InChIKeyDYXCAUZNFOYRBS-UHFFFAOYSA-N
MW720.28 g/mol
LogP7.96
Rot. Bonds2

About carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten

carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten (PubChem CID 164677733) has the molecular formula C29H20F3O5PW and a molecular weight of 720.28 g/mol. Its IUPAC name is carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten.

Molecular Properties

Compound Namecarbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten
PubChem CID164677733
Molecular FormulaC29H20F3O5PW
Molecular Weight720.28 g/mol
Exact Mass720.05
IUPAC Namecarbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten
SMILESCc1cc(C)c(-c2c(-c3ccc(C(F)(F)F)cc3)[pH]c3ccccc23)c(C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]
InChIInChI=1S/C24H20F3P.5CO.W/c1-14-12-15(2)21(16(3)13-14)22-19-6-4-5-7-20(19)28-23(22)17-8-10-18(11-9-17)24(25,26)27;5*1-2;/h4-13,28H,1-3H3;;;;;;
InChIKeyDYXCAUZNFOYRBS-UHFFFAOYSA-N
XLogP7.96
TPSA99.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.28
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole
CID 164677728
2-(2-methoxyphenyl)-3-(2,4,6-trimethylphenyl)-1H-phosphindole
CID 164676483
2-methyl-7-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]pyrene
CID 167155102
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
9-[3,5-di(carbazol-9-yl)-2-(4-methylphenyl)-4,6-bis[4-(trifluoromethyl)phenyl]phenyl]carbazole
CID 135130807
9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene
CID 157126907
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
3-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]picene
CID 58426560
9-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3-(2,4,6-trimethylphenyl)carbazole
CID 159468823
1,4-dimethyl-2-[2-[4-(trifluoromethyl)phenyl]phenyl]benzene
CID 139967906
4-methyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-ol
CID 102084046

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten?
The IUPAC name of carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten (CID 164677733) is carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten.
What is the SMILES notation for carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten?
The canonical SMILES for carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten is Cc1cc(C)c(-c2c(-c3ccc(C(F)(F)F)cc3)[pH]c3ccccc23)c(C)c1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W].
What is the InChIKey of carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten?
The InChIKey is DYXCAUZNFOYRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3P.5CO.W/c1-14-12-15(2)21(16(3)13-14)22-19-6-4-5-7-20(19)28-23(22)17-8-10-18(11-9-17)24(25,26)27;5*1-2;/h4-13,28H,1-3H3;;;;;;.
What are the key properties of carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten?
carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten has a molecular weight of 720.28 g/mol, XLogP of 7.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2-[4-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)-1H-phosphindole;tungsten is sourced from PubChem (CID 164677733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).