5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene

C48H34F6 — CID 102444033

IUPAC5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3c(-c4ccc(C(F)(F)F)cc4)c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c23)c1
InChIInChI=1S/C48H34F6/c1-27-21-28(2)24-33(23-27)43-39-11-7-8-12-40(39)44(34-25-29(3)22-30(4)26-34)46-42(32-15-19-36(20-16-32)48(52,53)54)38-10-6-5-9-37(38)41(45(43)46)31-13-17-35(18-14-31)47(49,50)51/h5-26H,1-4H3
InChIKeyDVWQSDDNEWSLAI-UHFFFAOYSA-N
MW724.79 g/mol
LogP15.09
Rot. Bonds4

About 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene

5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene (PubChem CID 102444033) has the molecular formula C48H34F6 and a molecular weight of 724.79 g/mol. Its IUPAC name is 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene.

Molecular Properties

Compound Name5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene
PubChem CID102444033
Molecular FormulaC48H34F6
Molecular Weight724.79 g/mol
Exact Mass724.26
IUPAC Name5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene
SMILESCc1cc(C)cc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3c(-c4ccc(C(F)(F)F)cc4)c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c23)c1
InChIInChI=1S/C48H34F6/c1-27-21-28(2)24-33(23-27)43-39-11-7-8-12-40(39)44(34-25-29(3)22-30(4)26-34)46-42(32-15-19-36(20-16-32)48(52,53)54)38-10-6-5-9-37(38)41(45(43)46)31-13-17-35(18-14-31)47(49,50)51/h5-26H,1-4H3
InChIKeyDVWQSDDNEWSLAI-UHFFFAOYSA-N
XLogP15.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.79
LogP ≤ 515.09
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(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene?
The IUPAC name of 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene (CID 102444033) is 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene.
What is the SMILES notation for 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene?
The canonical SMILES for 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene is Cc1cc(C)cc(-c2c3ccccc3c(-c3cc(C)cc(C)c3)c3c(-c4ccc(C(F)(F)F)cc4)c4ccccc4c(-c4ccc(C(F)(F)F)cc4)c23)c1.
What is the InChIKey of 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene?
The InChIKey is DVWQSDDNEWSLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34F6/c1-27-21-28(2)24-33(23-27)43-39-11-7-8-12-40(39)44(34-25-29(3)22-30(4)26-34)46-42(32-15-19-36(20-16-32)48(52,53)54)38-10-6-5-9-37(38)41(45(43)46)31-13-17-35(18-14-31)47(49,50)51/h5-26H,1-4H3.
What are the key properties of 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene?
5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene has a molecular weight of 724.79 g/mol, XLogP of 15.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis(3,5-dimethylphenyl)-6,11-bis[4-(trifluoromethyl)phenyl]tetracene is sourced from PubChem (CID 102444033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).