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

C34H28F6 — CID 129213068

IUPAC2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3cc(C(C)(C)C)ccc23)cc1C(F)(F)F
InChIInChI=1S/C34H28F6/c1-19-10-12-21(16-28(19)33(35,36)37)30-24-8-6-7-9-25(24)31(22-13-11-20(2)29(17-22)34(38,39)40)27-18-23(32(3,4)5)14-15-26(27)30/h6-18H,1-5H3
InChIKeyOBHYKMQCNSGJAP-UHFFFAOYSA-N
MW550.59 g/mol
LogP11.28
Rot. Bonds2

About 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene

2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene (PubChem CID 129213068) has the molecular formula C34H28F6 and a molecular weight of 550.59 g/mol. Its IUPAC name is 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene.

Molecular Properties

Compound Name2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
PubChem CID129213068
Molecular FormulaC34H28F6
Molecular Weight550.59 g/mol
Exact Mass550.21
IUPAC Name2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3cc(C(C)(C)C)ccc23)cc1C(F)(F)F
InChIInChI=1S/C34H28F6/c1-19-10-12-21(16-28(19)33(35,36)37)30-24-8-6-7-9-25(24)31(22-13-11-20(2)29(17-22)34(38,39)40)27-18-23(32(3,4)5)14-15-26(27)30/h6-18H,1-5H3
InChIKeyOBHYKMQCNSGJAP-UHFFFAOYSA-N
XLogP11.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.59
LogP ≤ 511.28
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)-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
9,10-bis[4-[4-methyl-3-(trifluoromethyl)phenyl]phenyl]anthracene
CID 129213075
9-[4-iodo-3-(trifluoromethyl)phenyl]-2-methyl-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 152838084
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
CID 144640372
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568828
9,10-bis(3,5-difluorophenyl)anthracene;9-[3,5-bis(trifluoromethyl)phenyl]-10-(3,5-dimethylphenyl)anthracene;2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2,6-ditert-butyl-9,10-bis(4-phenylphenyl)anthracene
CID 158406576
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
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
CID 89225792

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The IUPAC name of 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene (CID 129213068) is 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene.
What is the SMILES notation for 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The canonical SMILES for 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene is Cc1ccc(-c2c3ccccc3c(-c3ccc(C)c(C(F)(F)F)c3)c3cc(C(C)(C)C)ccc23)cc1C(F)(F)F.
What is the InChIKey of 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
The InChIKey is OBHYKMQCNSGJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F6/c1-19-10-12-21(16-28(19)33(35,36)37)30-24-8-6-7-9-25(24)31(22-13-11-20(2)29(17-22)34(38,39)40)27-18-23(32(3,4)5)14-15-26(27)30/h6-18H,1-5H3.
What are the key properties of 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene?
2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene has a molecular weight of 550.59 g/mol, XLogP of 11.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene is sourced from PubChem (CID 129213068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).