2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene

C42H27F3 — CID 89225794

IUPAC2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
SMILESCc1ccc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(C(F)(F)F)cc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C42H27F3/c1-26-13-21-36-38(23-26)41(35-12-6-10-29-8-4-5-11-34(29)35)39-25-33(42(43,44)45)20-22-37(39)40(36)30-17-14-28(15-18-30)32-19-16-27-7-2-3-9-31(27)24-32/h2-25H,1H3
InChIKeyMQEAGWINWKUZDR-UHFFFAOYSA-N
MW588.67 g/mol
LogP12.63
Rot. Bonds3

About 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene

2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene (PubChem CID 89225794) has the molecular formula C42H27F3 and a molecular weight of 588.67 g/mol. Its IUPAC name is 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene.

Molecular Properties

Compound Name2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
PubChem CID89225794
Molecular FormulaC42H27F3
Molecular Weight588.67 g/mol
Exact Mass588.21
IUPAC Name2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
SMILESCc1ccc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(C(F)(F)F)cc3c(-c3cccc4ccccc34)c2c1
InChIInChI=1S/C42H27F3/c1-26-13-21-36-38(23-26)41(35-12-6-10-29-8-4-5-11-34(29)35)39-25-33(42(43,44)45)20-22-37(39)40(36)30-17-14-28(15-18-30)32-19-16-27-7-2-3-9-31(27)24-32/h2-25H,1H3
InChIKeyMQEAGWINWKUZDR-UHFFFAOYSA-N
XLogP12.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.67
LogP ≤ 512.63
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

2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
CID 89225792
2-tert-butyl-9,10-bis(4-phenylphenyl)anthracene;2-methyl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-1-yl-9,10-bis(4-phenylphenyl)anthracene;2-naphthalen-2-yl-9,10-bis(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene
CID 158638548
2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-9,10-diphenylanthracene;6-(9,10-dinaphthalen-1-ylanthracen-2-yl)benzene-1,2,3,4,5-pentol;9,10-dinaphthalen-2-yl-2-phenylanthracene;9,10-dinaphthalen-2-yl-2-[10-(4-phenylphenyl)anthracen-9-yl]anthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-9,10-diphenylanthracene;2-(4-methylphenyl)-9,10-dinaphthalen-2-ylanthracene
CID 158490228
2,6-ditert-butyl-9-naphthalen-1-yl-10-phenylanthracene;2,6-dimethyl-9-naphthalen-1-yl-10-phenylanthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;trimethyl-(9-naphthalen-1-yl-10-phenyl-6-trimethylsilylanthracen-2-yl)silane
CID 159711490
2,6-ditert-butyl-9,10-dinaphthalen-1-ylanthracene;2,6-ditert-butyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;(9,10-dinaphthalen-1-yl-6-trimethylsilylanthracen-2-yl)-trimethylsilane;trimethyl-[9-naphthalen-1-yl-10-(4-phenylphenyl)-6-trimethylsilylanthracen-2-yl]silane
CID 158357350
10-naphthalen-1-yl-2-naphthalen-2-yl-9-(4-naphthalen-2-ylphenyl)anthracene
CID 58193908
9-naphthalen-1-yl-2,6-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene
CID 159201170
10-naphthalen-1-yl-9-(4-naphthalen-2-ylphenyl)-2-(trideuteriomethyl)anthracene
CID 158428779
2-tert-butyl-9,10-dinaphthalen-2-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;2-methyl-9,10-dinaphthalen-2-ylanthracene;2-methyl-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;trimethyl-(10-naphthalen-1-yl-9-naphthalen-2-ylanthracen-2-yl)silane
CID 162235560
2-tert-butyl-10-naphthalen-1-yl-9-phenylanthracene;2-tert-butyl-10-naphthalen-2-yl-9-phenylanthracene;2-methyl-10-naphthalen-2-yl-9-phenylanthracene;trimethyl-(10-naphthalen-1-yl-9-phenylanthracen-2-yl)silane
CID 162178187
2-tert-butyl-9,10-dinaphthalen-1-ylanthracene;2-tert-butyl-10-naphthalen-1-yl-9-(4-phenylphenyl)anthracene;(9,10-dinaphthalen-1-ylanthracen-2-yl)-trimethylsilane;2-methyl-9,10-dinaphthalen-1-ylanthracene;2-methyl-10-naphthalen-1-yl-9-(4-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(2-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(3-phenylphenyl)anthracene;9-(6-naphthalen-2-ylnaphthalen-2-yl)-10-(4-phenylphenyl)anthracene
CID 159667570
[9,10-bis(3-naphthalen-1-ylphenyl)anthracen-2-yl]-trimethylsilane;2-tert-butyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2-tert-butyl-10-naphthalen-1-yl-9-(4-phenylphenyl)anthracene;2-tert-butyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;2,6-ditert-butyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,6-dimethyl-9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene;2-methyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene;trimethyl-[10-naphthalen-1-yl-9-(4-phenylphenyl)anthracen-2-yl]silane;trimethyl-[10-naphthalen-2-yl-9-(4-phenylphenyl)anthracen-2-yl]silane
CID 157112503

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene?
The IUPAC name of 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene (CID 89225794) is 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene.
What is the SMILES notation for 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene?
The canonical SMILES for 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene is Cc1ccc2c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(C(F)(F)F)cc3c(-c3cccc4ccccc34)c2c1.
What is the InChIKey of 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene?
The InChIKey is MQEAGWINWKUZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27F3/c1-26-13-21-36-38(23-26)41(35-12-6-10-29-8-4-5-11-34(29)35)39-25-33(42(43,44)45)20-22-37(39)40(36)30-17-14-28(15-18-30)32-19-16-27-7-2-3-9-31(27)24-32/h2-25H,1H3.
What are the key properties of 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene?
2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene has a molecular weight of 588.67 g/mol, XLogP of 12.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene is sourced from PubChem (CID 89225794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).