7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane

C43H39F3 — CID 153332774

IUPAC7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane
SMILESCC.CC(C)(C)c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc(C(F)(F)F)cc5)c3c2)CCC=C4)cc1
InChIInChI=1S/C41H33F3.C2H6/c1-40(2,3)32-19-14-27(15-20-32)30-18-23-36-37(25-30)38(28-16-21-33(22-17-28)41(42,43)44)34-10-6-7-11-35(34)39(36)31-13-12-26-8-4-5-9-29(26)24-31;1-2/h4-5,7-9,11-25H,6,10H2,1-3H3;1-2H3
InChIKeyRNKRDGDKVGOADI-UHFFFAOYSA-N
MW612.78 g/mol
LogP13.30
Rot. Bonds3

About 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane

7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane (PubChem CID 153332774) has the molecular formula C43H39F3 and a molecular weight of 612.78 g/mol. Its IUPAC name is 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane.

Molecular Properties

Compound Name7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane
PubChem CID153332774
Molecular FormulaC43H39F3
Molecular Weight612.78 g/mol
Exact Mass612.30
IUPAC Name7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane
SMILESCC.CC(C)(C)c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc(C(F)(F)F)cc5)c3c2)CCC=C4)cc1
InChIInChI=1S/C41H33F3.C2H6/c1-40(2,3)32-19-14-27(15-20-32)30-18-23-36-37(25-30)38(28-16-21-33(22-17-28)41(42,43)44)34-10-6-7-11-35(34)39(36)31-13-12-26-8-4-5-9-29(26)24-31;1-2/h4-5,7-9,11-25H,6,10H2,1-3H3;1-2H3
InChIKeyRNKRDGDKVGOADI-UHFFFAOYSA-N
XLogP13.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 513.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
CID 153332778
8-(9,10-dinaphthalen-2-yl-5,6-dihydroanthracen-2-yl)-5-phenylpyrido[4,3-b]indole
CID 146360933
2-tert-butyl-9,10-dinaphthalen-2-yl-6-phenylanthracene
CID 59342691
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
10,10-dimethyl-7-[10-(4-naphthalen-2-ylphenyl)-3,4-dihydroanthracen-9-yl]indeno[1,2-b][1]benzofuran
CID 144856949
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
9-(3-phenylphenyl)-10-[3-(3-phenylphenyl)phenyl]-1,2-dihydroanthracene
CID 144568833
5-[10-(3-naphthalen-2-ylphenyl)-1,2-dihydroanthracen-9-yl]benzo[c]phenanthrene
CID 143811534
2-phenyl-8-(10-phenyl-3,4-dihydroanthracen-9-yl)dibenzothiophene
CID 155028360
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
CID 89225792

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane?
The IUPAC name of 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane (CID 153332774) is 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane.
What is the SMILES notation for 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane?
The canonical SMILES for 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane is CC.CC(C)(C)c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4c(c(-c5ccc(C(F)(F)F)cc5)c3c2)CCC=C4)cc1.
What is the InChIKey of 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane?
The InChIKey is RNKRDGDKVGOADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H33F3.C2H6/c1-40(2,3)32-19-14-27(15-20-32)30-18-23-36-37(25-30)38(28-16-21-33(22-17-28)41(42,43)44)34-10-6-7-11-35(34)39(36)31-13-12-26-8-4-5-9-29(26)24-31;1-2/h4-5,7-9,11-25H,6,10H2,1-3H3;1-2H3.
What are the key properties of 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane?
7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane has a molecular weight of 612.78 g/mol, XLogP of 13.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylphenyl)-10-naphthalen-2-yl-9-[4-(trifluoromethyl)phenyl]-1,2-dihydroanthracene;ethane is sourced from PubChem (CID 153332774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).