5,12-bis[4-(4-phenylphenyl)phenyl]tetracene

C54H36 — CID 140754623

IUPAC5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5cc6ccccc6cc45)cc3)cc2)cc1
InChIInChI=1S/C54H36/c1-3-11-37(12-4-1)39-19-23-41(24-20-39)43-27-31-45(32-28-43)53-49-17-9-10-18-50(49)54(52-36-48-16-8-7-15-47(48)35-51(52)53)46-33-29-44(30-34-46)42-25-21-40(22-26-42)38-13-5-2-6-14-38/h1-36H
InChIKeyHJRPJCWGGJRHRE-UHFFFAOYSA-N
MW684.88 g/mol
LogP15.15
Rot. Bonds6

About 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene

5,12-bis[4-(4-phenylphenyl)phenyl]tetracene (PubChem CID 140754623) has the molecular formula C54H36 and a molecular weight of 684.88 g/mol. Its IUPAC name is 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene.

Molecular Properties

Compound Name5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
PubChem CID140754623
Molecular FormulaC54H36
Molecular Weight684.88 g/mol
Exact Mass684.28
IUPAC Name5,12-bis[4-(4-phenylphenyl)phenyl]tetracene
SMILESc1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5cc6ccccc6cc45)cc3)cc2)cc1
InChIInChI=1S/C54H36/c1-3-11-37(12-4-1)39-19-23-41(24-20-39)43-27-31-45(32-28-43)53-49-17-9-10-18-50(49)54(52-36-48-16-8-7-15-47(48)35-51(52)53)46-33-29-44(30-34-46)42-25-21-40(22-26-42)38-13-5-2-6-14-38/h1-36H
InChIKeyHJRPJCWGGJRHRE-UHFFFAOYSA-N
XLogP15.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.88
LogP ≤ 515.15
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[4-(4-phenylphenyl)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

Related Compounds

6,13-bis(4-phenylphenyl)pentacene;ruthenium
CID 161148956
5,12-diphenyltetracene;5,6,11,12-tetraphenyltetracene
CID 160818251
5-(4-phenylphenyl)-12-(2,4,6-triphenylphenyl)tetracene
CID 58971187
9-phenyl-10-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]anthracene
CID 59024577
9-phenyl-10-[4-[4-[6-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]phenyl]phenyl]anthracene
CID 59024571
10-naphthalen-2-yl-2-(4-naphthalen-2-ylphenyl)-9-phenylanthracene
CID 166566465
9-naphthalen-2-yl-10-[4-(10-phenylanthracen-9-yl)phenyl]anthracene
CID 58876197
2-naphthalen-2-yl-6,9,10-triphenylanthracene
CID 59342692
9-naphthalen-2-yl-10-[7-[7-[4-(10-phenylanthracen-9-yl)phenyl]naphthalen-2-yl]naphthalen-2-yl]anthracene
CID 172546716
5,12-bis(4-phenylphenyl)tetracene;5-(2,4-diphenylphenyl)-12-(3,4-diphenylphenyl)tetracene
CID 162258725
9-naphthalen-2-yl-10-(10-phenylanthracen-9-yl)anthracene
CID 59557532
9,10-dinaphthalen-2-ylanthracene;9-naphthalen-2-yl-10-(6-phenylnaphthalen-2-yl)anthracene
CID 143848431

Frequently Asked Questions

What is the IUPAC name of 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene?
The IUPAC name of 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene (CID 140754623) is 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene.
What is the SMILES notation for 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene?
The canonical SMILES for 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene is c1ccc(-c2ccc(-c3ccc(-c4c5ccccc5c(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5cc6ccccc6cc45)cc3)cc2)cc1.
What is the InChIKey of 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene?
The InChIKey is HJRPJCWGGJRHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36/c1-3-11-37(12-4-1)39-19-23-41(24-20-39)43-27-31-45(32-28-43)53-49-17-9-10-18-50(49)54(52-36-48-16-8-7-15-47(48)35-51(52)53)46-33-29-44(30-34-46)42-25-21-40(22-26-42)38-13-5-2-6-14-38/h1-36H.
What are the key properties of 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene?
5,12-bis[4-(4-phenylphenyl)phenyl]tetracene has a molecular weight of 684.88 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-bis[4-(4-phenylphenyl)phenyl]tetracene is sourced from PubChem (CID 140754623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).