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

C144H110F10 — CID 158406576

IUPAC9,10-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
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1cc(C)cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)c1.Fc1cc(F)cc(-c2c3ccccc3c(-c3cc(F)cc(F)c3)c3ccccc23)c1
InChIInChI=1S/C46H42.C42H34.C30H20F6.C26H14F4/c1-45(2,3)37-25-27-39-41(29-37)43(35-21-17-33(18-22-35)31-13-9-7-10-14-31)40-28-26-38(46(4,5)6)30-42(40)44(39)36-23-19-34(20-24-36)32-15-11-8-12-16-32;1-42(2,3)35-26-27-38-39(28-35)41(34-24-20-32(21-25-34)30-14-8-5-9-15-30)37-17-11-10-16-36(37)40(38)33-22-18-31(19-23-33)29-12-6-4-7-13-29;1-17-11-18(2)13-19(12-17)27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36;27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16/h7-30H,1-6H3;4-28H,1-3H3;3-16H,1-2H3;1-14H
InChIKeyGYTUGKLHSRIERQ-UHFFFAOYSA-N
MW2030.44 g/mol
LogP43.08
Rot. Bonds12

About 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

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 (PubChem CID 158406576) has the molecular formula C144H110F10 and a molecular weight of 2030.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,10-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
PubChem CID158406576
Molecular FormulaC144H110F10
Molecular Weight2030.44 g/mol
Exact Mass2028.84
IUPAC Name9,10-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
SMILESCC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1cc(C)cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)c1.Fc1cc(F)cc(-c2c3ccccc3c(-c3cc(F)cc(F)c3)c3ccccc23)c1
InChIInChI=1S/C46H42.C42H34.C30H20F6.C26H14F4/c1-45(2,3)37-25-27-39-41(29-37)43(35-21-17-33(18-22-35)31-13-9-7-10-14-31)40-28-26-38(46(4,5)6)30-42(40)44(39)36-23-19-34(20-24-36)32-15-11-8-12-16-32;1-42(2,3)35-26-27-38-39(28-35)41(34-24-20-32(21-25-34)30-14-8-5-9-15-30)37-17-11-10-16-36(37)40(38)33-22-18-31(19-23-33)29-12-6-4-7-13-29;1-17-11-18(2)13-19(12-17)27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36;27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16/h7-30H,1-6H3;4-28H,1-3H3;3-16H,1-2H3;1-14H
InChIKeyGYTUGKLHSRIERQ-UHFFFAOYSA-N
XLogP43.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002030.44
LogP ≤ 543.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
9-(3,5-dimethylphenyl)-10-phenylanthracene
CID 170561654
2,6-ditert-butyl-9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene
CID 140869785
2-tert-butyl-9,10-bis(3-phenylphenyl)anthracene
CID 58672219
2-tert-butyl-9,10-bis[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129213068
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
CID 144640372
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene
CID 91269159
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
4-[4-[2-tert-butyl-10-(4-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568828
2,6-ditert-butyl-9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene
CID 140869806

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3cc(C(C)(C)C)ccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.CC(C)(C)c1ccc2c(-c3ccc(-c4ccccc4)cc3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1.Cc1cc(C)cc(-c2c3ccccc3c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c3ccccc23)c1.Fc1cc(F)cc(-c2c3ccccc3c(-c3cc(F)cc(F)c3)c3ccccc23)c1.
What is the InChIKey of 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?
The InChIKey is GYTUGKLHSRIERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H42.C42H34.C30H20F6.C26H14F4/c1-45(2,3)37-25-27-39-41(29-37)43(35-21-17-33(18-22-35)31-13-9-7-10-14-31)40-28-26-38(46(4,5)6)30-42(40)44(39)36-23-19-34(20-24-36)32-15-11-8-12-16-32;1-42(2,3)35-26-27-38-39(28-35)41(34-24-20-32(21-25-34)30-14-8-5-9-15-30)37-17-11-10-16-36(37)40(38)33-22-18-31(19-23-33)29-12-6-4-7-13-29;1-17-11-18(2)13-19(12-17)27-23-7-3-5-9-25(23)28(26-10-6-4-8-24(26)27)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36;27-17-9-15(10-18(28)13-17)25-21-5-1-2-6-22(21)26(24-8-4-3-7-23(24)25)16-11-19(29)14-20(30)12-16/h7-30H,1-6H3;4-28H,1-3H3;3-16H,1-2H3;1-14H.
What are the key properties of 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?
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 has a molecular weight of 2030.44 g/mol, XLogP of 43.08, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158406576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).