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

C100H84F16O6 — CID 158192256

IUPAC2,8-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
SMILESCF.CF.COc1ccc(-c2c3ccc(OC)cc3c(-c3ccccc3)c3c(-c4ccc(OC)cc4)c4ccc(OC)cc4c(-c4ccccc4)c23)cc1.Cc1ccc(-c2c3ccc(C)cc3c(-c3cccc(C(F)(F)F)c3)c3c(-c4ccc(OC(C)C)cc4)c4ccc(OC(C)C)cc4c(-c4cccc(C(F)(F)F)c4)c23)cc1.FF.FF.FF.FF
InChIInChI=1S/C52H42F6O2.C46H36O4.2CH3F.4F2/c1-29(2)59-39-20-18-34(19-21-39)46-42-24-22-40(60-30(3)4)28-44(42)48(36-10-8-12-38(27-36)52(56,57)58)50-45(33-16-13-31(5)14-17-33)41-23-15-32(6)25-43(41)47(49(46)50)35-9-7-11-37(26-35)51(53,54)55;1-47-33-19-15-31(16-20-33)41-37-25-23-35(49-3)27-39(37)44(30-13-9-6-10-14-30)46-42(32-17-21-34(48-2)22-18-32)38-26-24-36(50-4)28-40(38)43(45(41)46)29-11-7-5-8-12-29;6*1-2/h7-30H,1-6H3;5-28H,1-4H3;2*1H3;;;;
InChIKeyFZXDDOLHMHUPLD-UHFFFAOYSA-N
MW1685.73 g/mol
LogP32.42
Rot. Bonds16

About 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

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 (PubChem CID 158192256) has the molecular formula C100H84F16O6 and a molecular weight of 1685.73 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2,8-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
PubChem CID158192256
Molecular FormulaC100H84F16O6
Molecular Weight1685.73 g/mol
Exact Mass1684.60
IUPAC Name2,8-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
SMILESCF.CF.COc1ccc(-c2c3ccc(OC)cc3c(-c3ccccc3)c3c(-c4ccc(OC)cc4)c4ccc(OC)cc4c(-c4ccccc4)c23)cc1.Cc1ccc(-c2c3ccc(C)cc3c(-c3cccc(C(F)(F)F)c3)c3c(-c4ccc(OC(C)C)cc4)c4ccc(OC(C)C)cc4c(-c4cccc(C(F)(F)F)c4)c23)cc1.FF.FF.FF.FF
InChIInChI=1S/C52H42F6O2.C46H36O4.2CH3F.4F2/c1-29(2)59-39-20-18-34(19-21-39)46-42-24-22-40(60-30(3)4)28-44(42)48(36-10-8-12-38(27-36)52(56,57)58)50-45(33-16-13-31(5)14-17-33)41-23-15-32(6)25-43(41)47(49(46)50)35-9-7-11-37(26-35)51(53,54)55;1-47-33-19-15-31(16-20-33)41-37-25-23-35(49-3)27-39(37)44(30-13-9-6-10-14-30)46-42(32-17-21-34(48-2)22-18-32)38-26-24-36(50-4)28-40(38)43(45(41)46)29-11-7-5-8-12-29;6*1-2/h7-30H,1-6H3;5-28H,1-4H3;2*1H3;;;;
InChIKeyFZXDDOLHMHUPLD-UHFFFAOYSA-N
XLogP32.42
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001685.73
LogP ≤ 532.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
2-methyl-9,10-dinaphthalen-2-yl-6-(trifluoromethyl)anthracene
CID 89225792
5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426485
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
9-(4-methoxyphenyl)-10-[4-(trifluoromethyl)phenyl]anthracene
CID 122370617
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
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
CID 23542883
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
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
5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 163855080

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CF.CF.COc1ccc(-c2c3ccc(OC)cc3c(-c3ccccc3)c3c(-c4ccc(OC)cc4)c4ccc(OC)cc4c(-c4ccccc4)c23)cc1.Cc1ccc(-c2c3ccc(C)cc3c(-c3cccc(C(F)(F)F)c3)c3c(-c4ccc(OC(C)C)cc4)c4ccc(OC(C)C)cc4c(-c4cccc(C(F)(F)F)c4)c23)cc1.FF.FF.FF.FF.
What is the InChIKey of 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?
The InChIKey is FZXDDOLHMHUPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H42F6O2.C46H36O4.2CH3F.4F2/c1-29(2)59-39-20-18-34(19-21-39)46-42-24-22-40(60-30(3)4)28-44(42)48(36-10-8-12-38(27-36)52(56,57)58)50-45(33-16-13-31(5)14-17-33)41-23-15-32(6)25-43(41)47(49(46)50)35-9-7-11-37(26-35)51(53,54)55;1-47-33-19-15-31(16-20-33)41-37-25-23-35(49-3)27-39(37)44(30-13-9-6-10-14-30)46-42(32-17-21-34(48-2)22-18-32)38-26-24-36(50-4)28-40(38)43(45(41)46)29-11-7-5-8-12-29;6*1-2/h7-30H,1-6H3;5-28H,1-4H3;2*1H3;;;;.
What are the key properties of 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?
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 has a molecular weight of 1685.73 g/mol, XLogP of 32.42, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158192256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).