5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene

C64H72 — CID 162426419

IUPAC5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene
SMILESCC(C)c1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C(C)C)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c(-c3ccc(C(C)(C)C)cc3)c2c1
InChIInChI=1S/C64H72/c1-39(2)45-25-35-51-53(37-45)57(43-21-31-49(32-22-43)63(11,12)13)59-56(42-19-29-48(30-20-42)62(8,9)10)52-36-26-46(40(3)4)38-54(52)58(44-23-33-50(34-24-44)64(14,15)16)60(59)55(51)41-17-27-47(28-18-41)61(5,6)7/h17-40H,1-16H3
InChIKeyVFBLGHCAMUCWAQ-UHFFFAOYSA-N
MW841.28 g/mol
LogP19.25
Rot. Bonds6

About 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene

5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene (PubChem CID 162426419) has the molecular formula C64H72 and a molecular weight of 841.28 g/mol. Its IUPAC name is 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene.

Molecular Properties

Compound Name5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene
PubChem CID162426419
Molecular FormulaC64H72
Molecular Weight841.28 g/mol
Exact Mass840.56
IUPAC Name5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene
SMILESCC(C)c1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C(C)C)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c(-c3ccc(C(C)(C)C)cc3)c2c1
InChIInChI=1S/C64H72/c1-39(2)45-25-35-51-53(37-45)57(43-21-31-49(32-22-43)63(11,12)13)59-56(42-19-29-48(30-20-42)62(8,9)10)52-36-26-46(40(3)4)38-54(52)58(44-23-33-50(34-24-44)64(14,15)16)60(59)55(51)41-17-27-47(28-18-41)61(5,6)7/h17-40H,1-16H3
InChIKeyVFBLGHCAMUCWAQ-UHFFFAOYSA-N
XLogP19.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.28
LogP ≤ 519.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)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

2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene
CID 162426516
5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426485
5-(4-tert-butylphenyl)-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426455
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
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 22935008
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,3,8-trimethyltetracene
CID 162426404
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
5,13,21,29-tetratert-butyl-10,26-bis(4-tert-butylphenyl)nonacyclo[16.14.1.12,9.03,8.011,16.019,24.025,33.027,32.017,34]tetratriaconta-1,3(8),4,6,9,11(16),12,14,17(34),18(33),19(24),20,22,25,27(32),28,30-heptadecaene
CID 44518442
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
8,31-bis(3,5-ditert-butylphenyl)-13,26-di(propan-2-yl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 58402080

Frequently Asked Questions

What is the IUPAC name of 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene?
The IUPAC name of 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene (CID 162426419) is 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene.
What is the SMILES notation for 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene?
The canonical SMILES for 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene is CC(C)c1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccc(C(C)(C)C)cc4)c4cc(C(C)C)ccc4c(-c4ccc(C(C)(C)C)cc4)c3c(-c3ccc(C(C)(C)C)cc3)c2c1.
What is the InChIKey of 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene?
The InChIKey is VFBLGHCAMUCWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H72/c1-39(2)45-25-35-51-53(37-45)57(43-21-31-49(32-22-43)63(11,12)13)59-56(42-19-29-48(30-20-42)62(8,9)10)52-36-26-46(40(3)4)38-54(52)58(44-23-33-50(34-24-44)64(14,15)16)60(59)55(51)41-17-27-47(28-18-41)61(5,6)7/h17-40H,1-16H3.
What are the key properties of 5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene?
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene has a molecular weight of 841.28 g/mol, XLogP of 19.25, 6 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)-2,8-di(propan-2-yl)tetracene is sourced from PubChem (CID 162426419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).