9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene

C30H19F6I — CID 152838084

IUPAC9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc2c(-c3ccc(C)c(C(F)(F)F)c3)c3ccccc3c(-c3ccc(I)c(C(F)(F)F)c3)c2c1
InChIInChI=1S/C30H19F6I/c1-16-7-11-22-23(13-16)28(19-10-12-26(37)25(15-19)30(34,35)36)21-6-4-3-5-20(21)27(22)18-9-8-17(2)24(14-18)29(31,32)33/h3-15H,1-2H3
InChIKeySYCPJEHRNHGKMJ-UHFFFAOYSA-N
MW620.37 g/mol
LogP10.59
Rot. Bonds2

About 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene

9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene (PubChem CID 152838084) has the molecular formula C30H19F6I and a molecular weight of 620.37 g/mol. Its IUPAC name is 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
PubChem CID152838084
Molecular FormulaC30H19F6I
Molecular Weight620.37 g/mol
Exact Mass620.04
IUPAC Name9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc2c(-c3ccc(C)c(C(F)(F)F)c3)c3ccccc3c(-c3ccc(I)c(C(F)(F)F)c3)c2c1
InChIInChI=1S/C30H19F6I/c1-16-7-11-22-23(13-16)28(19-10-12-26(37)25(15-19)30(34,35)36)21-6-4-3-5-20(21)27(22)18-9-8-17(2)24(14-18)29(31,32)33/h3-15H,1-2H3
InChIKeySYCPJEHRNHGKMJ-UHFFFAOYSA-N
XLogP10.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.37
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212252
9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212253
2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213068
9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene
CID 129213075
1-iodo-4-phenyl-2-(trifluoromethyl)benzene
CID 46315008
2-methyl-9,10-bis(4-methylphenyl)phenanthrene
CID 102170161
2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
CID 89225792
1,6-bis[4-methyl-3-(trifluoromethyl)phenyl]chrysene
CID 129213094
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134628470
1-iodo-2-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 134628313
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010

Frequently Asked Questions

What is the IUPAC name of 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene (CID 152838084) is 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene is Cc1ccc2c(-c3ccc(C)c(C(F)(F)F)c3)c3ccccc3c(-c3ccc(I)c(C(F)(F)F)c3)c2c1.
What is the InChIKey of 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The InChIKey is SYCPJEHRNHGKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19F6I/c1-16-7-11-22-23(13-16)28(19-10-12-26(37)25(15-19)30(34,35)36)21-6-4-3-5-20(21)27(22)18-9-8-17(2)24(14-18)29(31,32)33/h3-15H,1-2H3.
What are the key properties of 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene has a molecular weight of 620.37 g/mol, XLogP of 10.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 152838084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).