6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene

C138H90F22 — CID 160705810

IUPAC6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene
SMILESCF.CF.FC(F)(F)c1cccc(-c2ccc(-c3c4ccc(-c5cccc(C(F)(F)F)c5)cc4c(-c4ccccc4)c4c(-c5ccc(-c6cccc(C(F)(F)F)c6)cc5)c5ccc(-c6cccc(C(F)(F)F)c6)cc5c(-c5ccccc5)c34)cc2)c1.FF.FF.FF.FF.c1ccc(-c2ccc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccccc4)c4c(-c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5c(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C70H40F12.C66H44.2CH3F.4F2/c71-67(72,73)53-19-7-15-47(35-53)41-23-27-45(28-24-41)61-58-34-32-52(50-18-10-22-56(38-50)70(80,81)82)40-60(58)64(44-13-5-2-6-14-44)66-62(46-29-25-42(26-30-46)48-16-8-20-54(36-48)68(74,75)76)57-33-31-51(49-17-9-21-55(37-49)69(77,78)79)39-59(57)63(65(61)66)43-11-3-1-4-12-43;1-7-19-45(20-8-1)49-31-35-53(36-32-49)61-57-41-39-55(47-23-11-3-12-24-47)43-59(57)64(52-29-17-6-18-30-52)66-62(54-37-33-50(34-38-54)46-21-9-2-10-22-46)58-42-40-56(48-25-13-4-14-26-48)44-60(58)63(65(61)66)51-27-15-5-16-28-51;6*1-2/h1-40H;1-44H;2*1H3;;;;
InChIKeyRRFDTBUISDZNBN-UHFFFAOYSA-N
MW2166.19 g/mol
LogP45.57
Rot. Bonds16

About 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene

6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene (PubChem CID 160705810) has the molecular formula C138H90F22 and a molecular weight of 2166.19 g/mol. Its IUPAC name is 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene.

Molecular Properties

Compound Name6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene
PubChem CID160705810
Molecular FormulaC138H90F22
Molecular Weight2166.19 g/mol
Exact Mass2164.67
IUPAC Name6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene
SMILESCF.CF.FC(F)(F)c1cccc(-c2ccc(-c3c4ccc(-c5cccc(C(F)(F)F)c5)cc4c(-c4ccccc4)c4c(-c5ccc(-c6cccc(C(F)(F)F)c6)cc5)c5ccc(-c6cccc(C(F)(F)F)c6)cc5c(-c5ccccc5)c34)cc2)c1.FF.FF.FF.FF.c1ccc(-c2ccc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccccc4)c4c(-c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5c(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C70H40F12.C66H44.2CH3F.4F2/c71-67(72,73)53-19-7-15-47(35-53)41-23-27-45(28-24-41)61-58-34-32-52(50-18-10-22-56(38-50)70(80,81)82)40-60(58)64(44-13-5-2-6-14-44)66-62(46-29-25-42(26-30-46)48-16-8-20-54(36-48)68(74,75)76)57-33-31-51(49-17-9-21-55(37-49)69(77,78)79)39-59(57)63(65(61)66)43-11-3-1-4-12-43;1-7-19-45(20-8-1)49-31-35-53(36-32-49)61-57-41-39-55(47-23-11-3-12-24-47)43-59(57)64(52-29-17-6-18-30-52)66-62(54-37-33-50(34-38-54)46-21-9-2-10-22-46)58-42-40-56(48-25-13-4-14-26-48)44-60(58)63(65(61)66)51-27-15-5-16-28-51;6*1-2/h1-40H;1-44H;2*1H3;;;;
InChIKeyRRFDTBUISDZNBN-UHFFFAOYSA-N
XLogP45.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002166.19
LogP ≤ 545.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene with MolForge

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Related Compounds

2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
CID 23542883
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene;2,8-diphenyl-5,6,11,12-tetrakis(4-phenylphenyl)tetracene
CID 161431983
2,9-diphenyl-10-[4-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]phenyl]anthracene
CID 89025408
6-cyclohexa-2,4-dien-1-yl-12-phenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene
CID 89278204
5,12-bis(3-fluorophenyl)-6,11-bis(4-phenylphenyl)tetracene;5,12-bis(4-phenylphenyl)-6-[4-phenyl-3-(trifluoromethyl)phenyl]-11-[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;5,12-diphenyl-6,11-bis[4-phenyl-3-(trifluoromethyl)phenyl]tetracene
CID 158999155
2,8-dimethoxy-5,11-bis(4-methoxyphenyl)-6,12-diphenyltetracene;fluoromethane;2-methyl-5-(4-methylphenyl)-8-propan-2-yloxy-11-(4-propan-2-yloxyphenyl)-6,12-bis[3-(trifluoromethyl)phenyl]tetracene;molecular fluorine
CID 158192256
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,6,9,10-tetraphenylanthracene
CID 58645118
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
2,7-bis(trifluoromethyl)-9,10-bis[3-(trifluoromethyl)phenyl]phenanthrene;3,6-dimethoxy-9,10-bis(4-methoxyphenyl)phenanthrene;3,6-dimethyl-9,10-bis(4-methylphenyl)phenanthrene;9,10-diphenylphenanthrene;3,6,9,10-tetraphenylphenanthrene
CID 159629423
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897

Frequently Asked Questions

What is the IUPAC name of 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene?
The IUPAC name of 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene (CID 160705810) is 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene.
What is the SMILES notation for 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene?
The canonical SMILES for 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene is CF.CF.FC(F)(F)c1cccc(-c2ccc(-c3c4ccc(-c5cccc(C(F)(F)F)c5)cc4c(-c4ccccc4)c4c(-c5ccc(-c6cccc(C(F)(F)F)c6)cc5)c5ccc(-c6cccc(C(F)(F)F)c6)cc5c(-c5ccccc5)c34)cc2)c1.FF.FF.FF.FF.c1ccc(-c2ccc(-c3c4ccc(-c5ccccc5)cc4c(-c4ccccc4)c4c(-c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5c(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene?
The InChIKey is RRFDTBUISDZNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H40F12.C66H44.2CH3F.4F2/c71-67(72,73)53-19-7-15-47(35-53)41-23-27-45(28-24-41)61-58-34-32-52(50-18-10-22-56(38-50)70(80,81)82)40-60(58)64(44-13-5-2-6-14-44)66-62(46-29-25-42(26-30-46)48-16-8-20-54(36-48)68(74,75)76)57-33-31-51(49-17-9-21-55(37-49)69(77,78)79)39-59(57)63(65(61)66)43-11-3-1-4-12-43;1-7-19-45(20-8-1)49-31-35-53(36-32-49)61-57-41-39-55(47-23-11-3-12-24-47)43-59(57)64(52-29-17-6-18-30-52)66-62(54-37-33-50(34-38-54)46-21-9-2-10-22-46)58-42-40-56(48-25-13-4-14-26-48)44-60(58)63(65(61)66)51-27-15-5-16-28-51;6*1-2/h1-40H;1-44H;2*1H3;;;;.
What are the key properties of 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene?
6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene has a molecular weight of 2166.19 g/mol, XLogP of 45.57, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-diphenyl-2,8-bis[3-(trifluoromethyl)phenyl]-5,11-bis[4-[3-(trifluoromethyl)phenyl]phenyl]tetracene;fluoromethane;molecular fluorine;2,6,8,12-tetraphenyl-5,11-bis(4-phenylphenyl)tetracene is sourced from PubChem (CID 160705810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).