5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene

C51H46 — CID 162426485

IUPAC5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
SMILESCc1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccccc4)c4cc(C)ccc4c(-c4ccc(C(C)C)cc4)c3c(-c3ccccc3)c2c1
InChIInChI=1S/C51H46/c1-32(2)35-20-22-38(23-21-35)45-41-28-18-33(3)30-43(41)48(37-16-12-9-13-17-37)50-46(39-24-26-40(27-25-39)51(5,6)7)42-29-19-34(4)31-44(42)47(49(45)50)36-14-10-8-11-15-36/h8-32H,1-7H3
InChIKeyYEOQYXNFNBYUKU-UHFFFAOYSA-N
MW658.93 g/mol
LogP14.85
Rot. Bonds5

About 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene

5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene (PubChem CID 162426485) has the molecular formula C51H46 and a molecular weight of 658.93 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
PubChem CID162426485
Molecular FormulaC51H46
Molecular Weight658.93 g/mol
Exact Mass658.36
IUPAC Name5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
SMILESCc1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccccc4)c4cc(C)ccc4c(-c4ccc(C(C)C)cc4)c3c(-c3ccccc3)c2c1
InChIInChI=1S/C51H46/c1-32(2)35-20-22-38(23-21-35)45-41-28-18-33(3)30-43(41)48(37-16-12-9-13-17-37)50-46(39-24-26-40(27-25-39)51(5,6)7)42-29-19-34(4)31-44(42)47(49(45)50)36-14-10-8-11-15-36/h8-32H,1-7H3
InChIKeyYEOQYXNFNBYUKU-UHFFFAOYSA-N
XLogP14.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.93
LogP ≤ 514.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)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

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-(4-tert-butylphenyl)-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene
CID 162426455
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
2-tert-butyl-5,6,11,12-tetrakis(4-methylphenyl)-8-propan-2-yltetracene
CID 162426516
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,8-di(propan-2-yl)tetracene
CID 162426419
5,6,11,12-tetrakis(4-tert-butylphenyl)-2,3,8-trimethyltetracene
CID 162426404
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
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
3,10,17,24-tetrakis(4-tert-butylphenyl)-6-methyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene;3,10,17,24-tetrakis(3,5-ditert-butylphenyl)-5,7-dimethyloctacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4,6,8,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene;10,17,24-tris(4-tert-butylphenyl)-5,6-dimethyl-3-(4-propan-2-ylphenyl)octacyclo[13.13.2.02,11.04,9.012,29.016,25.018,23.026,30]triaconta-1(28),2,4(9),5,7,10,12(29),13,15(30),16,18,20,22,24,26-pentadecaene
CID 159269503
2,3,8,9-tetratert-butyl-5,11-bis(4-methylphenyl)-6,12-diphenyltetracene
CID 162426478

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene?
The IUPAC name of 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene (CID 162426485) is 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene?
The canonical SMILES for 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene is Cc1ccc2c(-c3ccc(C(C)(C)C)cc3)c3c(-c4ccccc4)c4cc(C)ccc4c(-c4ccc(C(C)C)cc4)c3c(-c3ccccc3)c2c1.
What is the InChIKey of 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene?
The InChIKey is YEOQYXNFNBYUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H46/c1-32(2)35-20-22-38(23-21-35)45-41-28-18-33(3)30-43(41)48(37-16-12-9-13-17-37)50-46(39-24-26-40(27-25-39)51(5,6)7)42-29-19-34(4)31-44(42)47(49(45)50)36-14-10-8-11-15-36/h8-32H,1-7H3.
What are the key properties of 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene?
5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene has a molecular weight of 658.93 g/mol, XLogP of 14.85, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2,8-dimethyl-6,12-diphenyl-11-(4-propan-2-ylphenyl)tetracene is sourced from PubChem (CID 162426485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).