2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene

C68H42F6 — CID 23542883

IUPAC2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
SMILESFC(F)(F)c1ccc(-c2c3cc(-c4ccccc4)ccc3c(-c3ccc(-c4ccccc4)cc3)c3c(-c4ccc(C(F)(F)F)cc4)c4cc(-c5ccccc5)ccc4c(-c4ccc(-c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C68H42F6/c69-67(70,71)55-35-29-51(30-36-55)63-60-42-54(46-19-11-4-12-20-46)34-40-58(60)62(50-27-23-48(24-28-50)44-15-7-2-8-16-44)66-64(52-31-37-56(38-32-52)68(72,73)74)59-41-53(45-17-9-3-10-18-45)33-39-57(59)61(65(63)66)49-25-21-47(22-26-49)43-13-5-1-6-14-43/h1-42H
InChIKeyBJUBPOTWVFFNBI-UHFFFAOYSA-N
MW973.07 g/mol
LogP20.52
Rot. Bonds8

About 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene

2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene (PubChem CID 23542883) has the molecular formula C68H42F6 and a molecular weight of 973.07 g/mol. Its IUPAC name is 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene.

Molecular Properties

Compound Name2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
PubChem CID23542883
Molecular FormulaC68H42F6
Molecular Weight973.07 g/mol
Exact Mass972.32
IUPAC Name2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene
SMILESFC(F)(F)c1ccc(-c2c3cc(-c4ccccc4)ccc3c(-c3ccc(-c4ccccc4)cc3)c3c(-c4ccc(C(F)(F)F)cc4)c4cc(-c5ccccc5)ccc4c(-c4ccc(-c5ccccc5)cc4)c23)cc1
InChIInChI=1S/C68H42F6/c69-67(70,71)55-35-29-51(30-36-55)63-60-42-54(46-19-11-4-12-20-46)34-40-58(60)62(50-27-23-48(24-28-50)44-15-7-2-8-16-44)66-64(52-31-37-56(38-32-52)68(72,73)74)59-41-53(45-17-9-3-10-18-45)33-39-57(59)61(65(63)66)49-25-21-47(22-26-49)43-13-5-1-6-14-43/h1-42H
InChIKeyBJUBPOTWVFFNBI-UHFFFAOYSA-N
XLogP20.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500973.07
LogP ≤ 520.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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
6,12-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
2,6,9,10-tetraphenylanthracene
CID 58645118
2,6,9,10-tetrakis(4-phenylphenyl)anthracene
CID 123923188
2,7-bis[4-(4-tert-butylphenyl)phenyl]-9,10-diphenylanthracene
CID 59745944
9,10-dinaphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]anthracene
CID 153332778
15,20-bis[4-(trifluoromethyl)phenyl]heptacyclo[14.10.2.02,7.08,28.09,14.019,27.021,26]octacosa-1(27),2,4,6,8(28),9,11,13,15,17,19,21,23,25-tetradecaene
CID 122205192
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
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
2,10-diphenyl-9-[4-(3-phenylphenyl)phenyl]anthracene
CID 159959476
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404

Frequently Asked Questions

What is the IUPAC name of 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene?
The IUPAC name of 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene (CID 23542883) is 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene.
What is the SMILES notation for 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene?
The canonical SMILES for 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene is FC(F)(F)c1ccc(-c2c3cc(-c4ccccc4)ccc3c(-c3ccc(-c4ccccc4)cc3)c3c(-c4ccc(C(F)(F)F)cc4)c4cc(-c5ccccc5)ccc4c(-c4ccc(-c5ccccc5)cc4)c23)cc1.
What is the InChIKey of 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene?
The InChIKey is BJUBPOTWVFFNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H42F6/c69-67(70,71)55-35-29-51(30-36-55)63-60-42-54(46-19-11-4-12-20-46)34-40-58(60)62(50-27-23-48(24-28-50)44-15-7-2-8-16-44)66-64(52-31-37-56(38-32-52)68(72,73)74)59-41-53(45-17-9-3-10-18-45)33-39-57(59)61(65(63)66)49-25-21-47(22-26-49)43-13-5-1-6-14-43/h1-42H.
What are the key properties of 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene?
2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene has a molecular weight of 973.07 g/mol, XLogP of 20.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-diphenyl-5,11-bis(4-phenylphenyl)-6,12-bis[4-(trifluoromethyl)phenyl]tetracene is sourced from PubChem (CID 23542883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).