5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene

C58H60 — CID 22935008

IUPAC5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4ccccc4c(-c4ccc(C(C)(C)C)cc4)c23)cc1
InChIInChI=1S/C58H60/c1-55(2,3)41-29-21-37(22-30-41)49-45-17-13-14-18-46(45)51(39-25-33-43(34-26-39)57(7,8)9)54-52(40-27-35-44(36-28-40)58(10,11)12)48-20-16-15-19-47(48)50(53(49)54)38-23-31-42(32-24-38)56(4,5)6/h13-36H,1-12H3
InChIKeyZINJLDDVBPVWAQ-UHFFFAOYSA-N
MW757.12 g/mol
LogP17.00
Rot. Bonds4

About 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene

5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene (PubChem CID 22935008) has the molecular formula C58H60 and a molecular weight of 757.12 g/mol. Its IUPAC name is 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene.

Molecular Properties

Compound Name5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
PubChem CID22935008
Molecular FormulaC58H60
Molecular Weight757.12 g/mol
Exact Mass756.47
IUPAC Name5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
SMILESCC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4ccccc4c(-c4ccc(C(C)(C)C)cc4)c23)cc1
InChIInChI=1S/C58H60/c1-55(2,3)41-29-21-37(22-30-41)49-45-17-13-14-18-46(45)51(39-25-33-43(34-26-39)57(7,8)9)54-52(40-27-35-44(36-28-40)58(10,11)12)48-20-16-15-19-47(48)50(53(49)54)38-23-31-42(32-24-38)56(4,5)6/h13-36H,1-12H3
InChIKeyZINJLDDVBPVWAQ-UHFFFAOYSA-N
XLogP17.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.12
LogP ≤ 517.00
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-(4-tert-butylphenyl)-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426455
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
5,11-bis(4-tert-butylphenyl)-2,3,8,9-tetramethyl-6,12-diphenyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-dimethyltetracene;5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 163855080
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
3,14,21,28-tetrakis(3,5-ditert-butylphenyl)-5,12-diphenylnonacyclo[17.13.2.02,15.04,13.06,11.016,33.020,29.022,27.030,34]tetratriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33-heptadecaene
CID 58282295
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
3-bromo-9,10-bis(4-tert-butylphenyl)phenanthrene
CID 142739231

Frequently Asked Questions

What is the IUPAC name of 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene?
The IUPAC name of 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene (CID 22935008) is 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene.
What is the SMILES notation for 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene?
The canonical SMILES for 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene is CC(C)(C)c1ccc(-c2c3ccccc3c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4ccccc4c(-c4ccc(C(C)(C)C)cc4)c23)cc1.
What is the InChIKey of 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene?
The InChIKey is ZINJLDDVBPVWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H60/c1-55(2,3)41-29-21-37(22-30-41)49-45-17-13-14-18-46(45)51(39-25-33-43(34-26-39)57(7,8)9)54-52(40-27-35-44(36-28-40)58(10,11)12)48-20-16-15-19-47(48)50(53(49)54)38-23-31-42(32-24-38)56(4,5)6/h13-36H,1-12H3.
What are the key properties of 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene?
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene has a molecular weight of 757.12 g/mol, XLogP of 17.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene is sourced from PubChem (CID 22935008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).