2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene

C53H50 — CID 162426516

IUPAC2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene
SMILESCc1ccc(-c2c3ccc(C(C)C)cc3c(-c3ccc(C)cc3)c3c(-c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4c(-c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C53H50/c1-32(2)41-26-28-43-45(30-41)49(39-22-14-35(5)15-23-39)51-48(38-20-12-34(4)13-21-38)44-29-27-42(53(7,8)9)31-46(44)50(40-24-16-36(6)17-25-40)52(51)47(43)37-18-10-33(3)11-19-37/h10-32H,1-9H3
InChIKeyUZSNTZQUOYEUAL-UHFFFAOYSA-N
MW686.98 g/mol
LogP15.47
Rot. Bonds5

About 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene

2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene (PubChem CID 162426516) has the molecular formula C53H50 and a molecular weight of 686.98 g/mol. Its IUPAC name is 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene.

Molecular Properties

Compound Name2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene
PubChem CID162426516
Molecular FormulaC53H50
Molecular Weight686.98 g/mol
Exact Mass686.39
IUPAC Name2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene
SMILESCc1ccc(-c2c3ccc(C(C)C)cc3c(-c3ccc(C)cc3)c3c(-c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4c(-c4ccc(C)cc4)c23)cc1
InChIInChI=1S/C53H50/c1-32(2)41-26-28-43-45(30-41)49(39-22-14-35(5)15-23-39)51-48(38-20-12-34(4)13-21-38)44-29-27-42(53(7,8)9)31-46(44)50(40-24-16-36(6)17-25-40)52(51)47(43)37-18-10-33(3)11-19-37/h10-32H,1-9H3
InChIKeyUZSNTZQUOYEUAL-UHFFFAOYSA-N
XLogP15.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.98
LogP ≤ 515.47
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

5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene
CID 162426419
5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426485
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
12-(4-tert-butylphenyl)-2,3,8-trimethyl-5,11-diphenyl-6-(4-propan-2-ylphenyl)tetracene
CID 162426493
5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;2,3,8,9-tetramethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene;2,3,8-trimethyl-5,6,11,12-tetrakis(4-propan-2-ylphenyl)tetracene
CID 163430298
2,6-ditert-butyl-9,10-bis(4-methylphenyl)anthracene;ethane
CID 144640372
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,3,8-trimethyltetracene
CID 162426404
5-(4-tert-butylphenyl)-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426455
2-tert-butyl-10-[3-tert-butyl-10-(4-methyl-N-(4-propan-2-ylphenyl)anilino)anthracen-9-yl]-N-(4-methylphenyl)-N-(4-propan-2-ylphenyl)anthracen-9-amine
CID 59133298
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
4-[10-(4-aminophenyl)-2,6-ditert-butylanthracen-9-yl]aniline
CID 144640366
5,12-bis(4-tert-butylphenyl)tetracene;2-tert-butyl-5,11-bis(4-tert-butylphenyl)-8-methyl-6,12-bis(4-phenylphenyl)tetracene
CID 91269159

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene?
The IUPAC name of 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene (CID 162426516) is 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene.
What is the SMILES notation for 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene?
The canonical SMILES for 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene is Cc1ccc(-c2c3ccc(C(C)C)cc3c(-c3ccc(C)cc3)c3c(-c4ccc(C)cc4)c4ccc(C(C)(C)C)cc4c(-c4ccc(C)cc4)c23)cc1.
What is the InChIKey of 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene?
The InChIKey is UZSNTZQUOYEUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H50/c1-32(2)41-26-28-43-45(30-41)49(39-22-14-35(5)15-23-39)51-48(38-20-12-34(4)13-21-38)44-29-27-42(53(7,8)9)31-46(44)50(40-24-16-36(6)17-25-40)52(51)47(43)37-18-10-33(3)11-19-37/h10-32H,1-9H3.
What are the key properties of 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene?
2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene has a molecular weight of 686.98 g/mol, XLogP of 15.47, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene is sourced from PubChem (CID 162426516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).