9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene

C42H28F6 — CID 129213075

IUPAC9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene
SMILESCc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c4ccccc34)cc2)cc1C(F)(F)F
InChIInChI=1S/C42H28F6/c1-25-11-13-31(23-37(25)41(43,44)45)27-15-19-29(20-16-27)39-33-7-3-5-9-35(33)40(36-10-6-4-8-34(36)39)30-21-17-28(18-22-30)32-14-12-26(2)38(24-32)42(46,47)48/h3-24H,1-2H3
InChIKeyYQCDDEBALCLQLM-UHFFFAOYSA-N
MW646.67 g/mol
LogP13.32
Rot. Bonds4

About 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene

9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene (PubChem CID 129213075) has the molecular formula C42H28F6 and a molecular weight of 646.67 g/mol. Its IUPAC name is 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene.

Molecular Properties

Compound Name9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene
PubChem CID129213075
Molecular FormulaC42H28F6
Molecular Weight646.67 g/mol
Exact Mass646.21
IUPAC Name9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene
SMILESCc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c4ccccc34)cc2)cc1C(F)(F)F
InChIInChI=1S/C42H28F6/c1-25-11-13-31(23-37(25)41(43,44)45)27-15-19-29(20-16-27)39-33-7-3-5-9-35(33)40(36-10-6-4-8-34(36)39)30-21-17-28(18-22-30)32-14-12-26(2)38(24-32)42(46,47)48/h3-24H,1-2H3
InChIKeyYQCDDEBALCLQLM-UHFFFAOYSA-N
XLogP13.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.67
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212253
9-(3,4-dimethylphenyl)-2,3-dimethyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212252
1-methyl-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 87917003
2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213068
9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 152838084
1-methyl-4-[3-methyl-4-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 145326539
ethane;fluoromethane;pentakis(1-[4-(4-fluoro-3-methylphenyl)phenyl]-4-[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]-2,3,5,6-tetraphenylbenzene);bis(1,1,1-trifluoroethane)
CID 160858375
1,6-bis[4-methyl-3-(trifluoromethyl)phenyl]chrysene
CID 129213094
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
1,3,5-trichloro-2-[4-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134628470
1,5-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213092
9-(4-naphthalen-2-ylphenyl)-10-(trifluoromethyl)anthracene
CID 163898153

Frequently Asked Questions

What is the IUPAC name of 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene?
The IUPAC name of 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene (CID 129213075) is 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene.
What is the SMILES notation for 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene?
The canonical SMILES for 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene is Cc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c4ccccc34)cc2)cc1C(F)(F)F.
What is the InChIKey of 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene?
The InChIKey is YQCDDEBALCLQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28F6/c1-25-11-13-31(23-37(25)41(43,44)45)27-15-19-29(20-16-27)39-33-7-3-5-9-35(33)40(36-10-6-4-8-34(36)39)30-21-17-28(18-22-30)32-14-12-26(2)38(24-32)42(46,47)48/h3-24H,1-2H3.
What are the key properties of 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene?
9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene has a molecular weight of 646.67 g/mol, XLogP of 13.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene is sourced from PubChem (CID 129213075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).