5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene

C66H42F2 — CID 58846893

IUPAC5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
SMILESFc1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c(F)c3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c23)ccc1-c1ccccc1
InChIInChI=1S/C66H42F2/c67-59-41-51(37-39-53(59)47-21-9-3-10-22-47)63-57-27-15-16-28-58(57)64(52-38-40-54(60(68)42-52)48-23-11-4-12-24-48)66-62(50-35-31-46(32-36-50)44-19-7-2-8-20-44)56-26-14-13-25-55(56)61(65(63)66)49-33-29-45(30-34-49)43-17-5-1-6-18-43/h1-42H
InChIKeyCHRKEGUEARLJAC-UHFFFAOYSA-N
MW873.06 g/mol
LogP18.76
Rot. Bonds8

About 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene

5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene (PubChem CID 58846893) has the molecular formula C66H42F2 and a molecular weight of 873.06 g/mol. Its IUPAC name is 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene.

Molecular Properties

Compound Name5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
PubChem CID58846893
Molecular FormulaC66H42F2
Molecular Weight873.06 g/mol
Exact Mass872.33
IUPAC Name5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene
SMILESFc1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c(F)c3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c23)ccc1-c1ccccc1
InChIInChI=1S/C66H42F2/c67-59-41-51(37-39-53(59)47-21-9-3-10-22-47)63-57-27-15-16-28-58(57)64(52-38-40-54(60(68)42-52)48-23-11-4-12-24-48)66-62(50-35-31-46(32-36-50)44-19-7-2-8-20-44)56-26-14-13-25-55(56)61(65(63)66)49-33-29-45(30-34-49)43-17-5-1-6-18-43/h1-42H
InChIKeyCHRKEGUEARLJAC-UHFFFAOYSA-N
XLogP18.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.06
LogP ≤ 518.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,12-bis(2,4-diphenylphenyl)-6,11-diphenyltetracene
CID 21043375
9-(3,4-diphenylphenyl)-10-(4-phenylphenyl)anthracene
CID 164706372
5,12-bis[4-(3-fluorophenyl)phenyl]-6,11-diphenyltetracene
CID 58846897
2-(2,4-difluorophenyl)-8-(2-fluoro-4-methylphenyl)-5,11-bis[4-(2-fluoro-4-methylphenyl)phenyl]-6,12-diphenyltetracene
CID 143048698
9-(2,4-difluorophenyl)-1,2,3,4-tetrafluoro-10-phenylanthracene
CID 87429066
1-fluoro-4-(4-phenylphenyl)naphthalene
CID 165394983
9-(4-phenylnaphthalen-1-yl)-10-(4-phenylphenyl)anthracene
CID 123739520
1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87428590
2,3-difluoro-1-(2-fluoro-4-phenylphenyl)-4-phenylbenzene
CID 130387899
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
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
9-(3,4-diphenylphenyl)-10-(3-phenylphenyl)anthracene
CID 164706349

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene?
The IUPAC name of 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene (CID 58846893) is 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene.
What is the SMILES notation for 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene?
The canonical SMILES for 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene is Fc1cc(-c2c3ccccc3c(-c3ccc(-c4ccccc4)c(F)c3)c3c(-c4ccc(-c5ccccc5)cc4)c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c23)ccc1-c1ccccc1.
What is the InChIKey of 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene?
The InChIKey is CHRKEGUEARLJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42F2/c67-59-41-51(37-39-53(59)47-21-9-3-10-22-47)63-57-27-15-16-28-58(57)64(52-38-40-54(60(68)42-52)48-23-11-4-12-24-48)66-62(50-35-31-46(32-36-50)44-19-7-2-8-20-44)56-26-14-13-25-55(56)61(65(63)66)49-33-29-45(30-34-49)43-17-5-1-6-18-43/h1-42H.
What are the key properties of 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene?
5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene has a molecular weight of 873.06 g/mol, XLogP of 18.76, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(3-fluoro-4-phenylphenyl)-6,11-bis(4-phenylphenyl)tetracene is sourced from PubChem (CID 58846893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).