2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene

C52H48 — CID 162426469

IUPAC2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene
SMILESCc1ccc(-c2c3cc(C)ccc3c(-c3c(C)cc(C)cc3C)c3c(-c4c(C)cc(C)cc4C)c4cc(C)ccc4c(-c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C52H48/c1-29-11-17-39(18-12-29)47-41-21-15-32(4)28-44(41)50(46-37(9)25-34(6)26-38(46)10)52-49(45-35(7)23-33(5)24-36(45)8)42-22-16-31(3)27-43(42)48(51(47)52)40-19-13-30(2)14-20-40/h11-28H,1-10H3
InChIKeyNAQXEFMJKMIHMU-UHFFFAOYSA-N
MW672.96 g/mol
LogP14.90
Rot. Bonds4

About 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene

2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene (PubChem CID 162426469) has the molecular formula C52H48 and a molecular weight of 672.96 g/mol. Its IUPAC name is 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene.

Molecular Properties

Compound Name2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene
PubChem CID162426469
Molecular FormulaC52H48
Molecular Weight672.96 g/mol
Exact Mass672.38
IUPAC Name2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene
SMILESCc1ccc(-c2c3cc(C)ccc3c(-c3c(C)cc(C)cc3C)c3c(-c4c(C)cc(C)cc4C)c4cc(C)ccc4c(-c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C52H48/c1-29-11-17-39(18-12-29)47-41-21-15-32(4)28-44(41)50(46-37(9)25-34(6)26-38(46)10)52-49(45-35(7)23-33(5)24-36(45)8)42-22-16-31(3)27-43(42)48(51(47)52)40-19-13-30(2)14-20-40/h11-28H,1-10H3
InChIKeyNAQXEFMJKMIHMU-UHFFFAOYSA-N
XLogP14.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.96
LogP ≤ 514.90
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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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene?
The IUPAC name of 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene (CID 162426469) is 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene.
What is the SMILES notation for 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene?
The canonical SMILES for 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene is Cc1ccc(-c2c3cc(C)ccc3c(-c3c(C)cc(C)cc3C)c3c(-c4c(C)cc(C)cc4C)c4cc(C)ccc4c(-c4ccc(C)cc4)c23)cc1.
What is the InChIKey of 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene?
The InChIKey is NAQXEFMJKMIHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48/c1-29-11-17-39(18-12-29)47-41-21-15-32(4)28-44(41)50(46-37(9)25-34(6)26-38(46)10)52-49(45-35(7)23-33(5)24-36(45)8)42-22-16-31(3)27-43(42)48(51(47)52)40-19-13-30(2)14-20-40/h11-28H,1-10H3.
What are the key properties of 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene?
2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene has a molecular weight of 672.96 g/mol, XLogP of 14.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-5,6-bis(4-methylphenyl)-11,12-bis(2,4,6-trimethylphenyl)tetracene is sourced from PubChem (CID 162426469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).