2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene

C36H23F3 — CID 89225792

IUPAC2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3cc(C(F)(F)F)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C36H23F3/c1-22-10-16-30-32(18-22)34(27-13-11-23-6-2-4-8-25(23)19-27)31-17-15-29(36(37,38)39)21-33(31)35(30)28-14-12-24-7-3-5-9-26(24)20-28/h2-21H,1H3
InChIKeyIWAHMZRGXRPHHX-UHFFFAOYSA-N
MW512.57 g/mol
LogP10.96
Rot. Bonds2

About 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene

2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene (PubChem CID 89225792) has the molecular formula C36H23F3 and a molecular weight of 512.57 g/mol. Its IUPAC name is 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene.

Molecular Properties

Compound Name2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
PubChem CID89225792
Molecular FormulaC36H23F3
Molecular Weight512.57 g/mol
Exact Mass512.18
IUPAC Name2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
SMILESCc1ccc2c(-c3ccc4ccccc4c3)c3cc(C(F)(F)F)ccc3c(-c3ccc4ccccc4c3)c2c1
InChIInChI=1S/C36H23F3/c1-22-10-16-30-32(18-22)34(27-13-11-23-6-2-4-8-25(23)19-27)31-17-15-29(36(37,38)39)21-33(31)35(30)28-14-12-24-7-3-5-9-26(24)20-28/h2-21H,1H3
InChIKeyIWAHMZRGXRPHHX-UHFFFAOYSA-N
XLogP10.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.57
LogP ≤ 510.96
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-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)-7-(trifluoromethyl)anthracene
CID 89225794
9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
CID 153332778
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-methyl-9-naphthalen-2-yl-10-(3-phenylphenyl)anthracene;2-methyl-10-naphthalen-2-yl-9-(4-phenylphenyl)anthracene
CID 91522286
2-(4-tert-butylphenyl)-9-(4-methylphenyl)-10-naphthalen-2-ylanthracene;2-(4-methylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethoxy)phenyl]anthracene;9-(4-methylphenyl)-10-naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene;10-naphthalen-2-yl-2-[4-(trifluoromethoxy)phenyl]-9-[3-(trifluoromethyl)phenyl]anthracene
CID 157153963
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
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
9,10-bis(7-methylnaphthalen-2-yl)anthracene
CID 140856010
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
2-(2-methyl-10-naphthalen-2-ylanthracen-9-yl)dibenzothiophene
CID 59195540
2-(6-methyl-9,10-dinaphthalen-2-ylanthracen-2-yl)-6-phenylpyridine
CID 59722048

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene?
The IUPAC name of 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene (CID 89225792) is 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene.
What is the SMILES notation for 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene?
The canonical SMILES for 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene is Cc1ccc2c(-c3ccc4ccccc4c3)c3cc(C(F)(F)F)ccc3c(-c3ccc4ccccc4c3)c2c1.
What is the InChIKey of 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene?
The InChIKey is IWAHMZRGXRPHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23F3/c1-22-10-16-30-32(18-22)34(27-13-11-23-6-2-4-8-25(23)19-27)31-17-15-29(36(37,38)39)21-33(31)35(30)28-14-12-24-7-3-5-9-26(24)20-28/h2-21H,1H3.
What are the key properties of 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene?
2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene has a molecular weight of 512.57 g/mol, XLogP of 10.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene is sourced from PubChem (CID 89225792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).