9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene

C120H99F3 — CID 157126907

IUPAC9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3c(C)cc(C)cc3C)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3cccc4c3CCCC4)c3ccccc23)cc1
InChIInChI=1S/C31H26.C31H28.C30H26.C28H19F3/c1-21-17-19-23(20-18-21)30-26-12-4-6-14-28(26)31(29-15-7-5-13-27(29)30)25-16-8-10-22-9-2-3-11-24(22)25;1-21-13-15-22(16-14-21)29-25-9-5-7-11-27(25)30(28-12-8-6-10-26(28)29)23-17-19-24(20-18-23)31(2,3)4;1-19-13-15-23(16-14-19)29-24-9-5-7-11-26(24)30(27-12-8-6-10-25(27)29)28-21(3)17-20(2)18-22(28)4;1-18-10-12-19(13-11-18)26-22-6-2-4-8-24(22)27(25-9-5-3-7-23(25)26)20-14-16-21(17-15-20)28(29,30)31/h4-8,10,12-20H,2-3,9,11H2,1H3;5-20H,1-4H3;5-18H,1-4H3;2-17H,1H3
InChIKeyAIPNLTWSTSTXLV-UHFFFAOYSA-N
MW1598.11 g/mol
LogP34.66
Rot. Bonds8

About 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene

9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene (PubChem CID 157126907) has the molecular formula C120H99F3 and a molecular weight of 1598.11 g/mol. Its IUPAC name is 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene.

Molecular Properties

Compound Name9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene
PubChem CID157126907
Molecular FormulaC120H99F3
Molecular Weight1598.11 g/mol
Exact Mass1596.77
IUPAC Name9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene
SMILESCc1ccc(-c2c3ccccc3c(-c3c(C)cc(C)cc3C)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3cccc4c3CCCC4)c3ccccc23)cc1
InChIInChI=1S/C31H26.C31H28.C30H26.C28H19F3/c1-21-17-19-23(20-18-21)30-26-12-4-6-14-28(26)31(29-15-7-5-13-27(29)30)25-16-8-10-22-9-2-3-11-24(22)25;1-21-13-15-22(16-14-21)29-25-9-5-7-11-27(25)30(28-12-8-6-10-26(28)29)23-17-19-24(20-18-23)31(2,3)4;1-19-13-15-23(16-14-19)29-24-9-5-7-11-26(24)30(27-12-8-6-10-25(27)29)28-21(3)17-20(2)18-22(28)4;1-18-10-12-19(13-11-18)26-22-6-2-4-8-24(22)27(25-9-5-3-7-23(25)26)20-14-16-21(17-15-20)28(29,30)31/h4-8,10,12-20H,2-3,9,11H2,1H3;5-20H,1-4H3;5-18H,1-4H3;2-17H,1H3
InChIKeyAIPNLTWSTSTXLV-UHFFFAOYSA-N
XLogP34.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001598.11
LogP ≤ 534.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene?
The IUPAC name of 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene (CID 157126907) is 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene.
What is the SMILES notation for 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene?
The canonical SMILES for 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene is Cc1ccc(-c2c3ccccc3c(-c3c(C)cc(C)cc3C)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3ccc(C(F)(F)F)cc3)c3ccccc23)cc1.Cc1ccc(-c2c3ccccc3c(-c3cccc4c3CCCC4)c3ccccc23)cc1.
What is the InChIKey of 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene?
The InChIKey is AIPNLTWSTSTXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26.C31H28.C30H26.C28H19F3/c1-21-17-19-23(20-18-21)30-26-12-4-6-14-28(26)31(29-15-7-5-13-27(29)30)25-16-8-10-22-9-2-3-11-24(22)25;1-21-13-15-22(16-14-21)29-25-9-5-7-11-27(25)30(28-12-8-6-10-26(28)29)23-17-19-24(20-18-23)31(2,3)4;1-19-13-15-23(16-14-19)29-24-9-5-7-11-26(24)30(27-12-8-6-10-25(27)29)28-21(3)17-20(2)18-22(28)4;1-18-10-12-19(13-11-18)26-22-6-2-4-8-24(22)27(25-9-5-3-7-23(25)26)20-14-16-21(17-15-20)28(29,30)31/h4-8,10,12-20H,2-3,9,11H2,1H3;5-20H,1-4H3;5-18H,1-4H3;2-17H,1H3.
What are the key properties of 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene?
9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene has a molecular weight of 1598.11 g/mol, XLogP of 34.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-tert-butylphenyl)-10-(4-methylphenyl)anthracene;9-(4-methylphenyl)-10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracene;9-(4-methylphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene;9-(4-methylphenyl)-10-(2,4,6-trimethylphenyl)anthracene is sourced from PubChem (CID 157126907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).