2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene

C53H44 — CID 145010127

IUPAC2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene
SMILESC=C(C)c1ccc(-c2c3ccc(CC)cc3c(-c3ccccc3)c3c(-c4ccc(C(=C)C)cc4)c4ccc(C(=C)C)cc4c(-c4ccccc4)c23)cc1
InChIInChI=1S/C53H44/c1-8-36-19-29-44-46(31-36)50(39-15-11-9-12-16-39)52-49(42-26-22-38(23-27-42)34(4)5)45-30-28-43(35(6)7)32-47(45)51(40-17-13-10-14-18-40)53(52)48(44)41-24-20-37(21-25-41)33(2)3/h9-32H,2,4,6,8H2,1,3,5,7H3
InChIKeyIWDOZLMTKQKWCT-UHFFFAOYSA-N
MW680.93 g/mol
LogP15.48
Rot. Bonds8

About 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene

2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene (PubChem CID 145010127) has the molecular formula C53H44 and a molecular weight of 680.93 g/mol. Its IUPAC name is 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene.

Molecular Properties

Compound Name2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene
PubChem CID145010127
Molecular FormulaC53H44
Molecular Weight680.93 g/mol
Exact Mass680.34
IUPAC Name2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene
SMILESC=C(C)c1ccc(-c2c3ccc(CC)cc3c(-c3ccccc3)c3c(-c4ccc(C(=C)C)cc4)c4ccc(C(=C)C)cc4c(-c4ccccc4)c23)cc1
InChIInChI=1S/C53H44/c1-8-36-19-29-44-46(31-36)50(39-15-11-9-12-16-39)52-49(42-26-22-38(23-27-42)34(4)5)45-30-28-43(35(6)7)32-47(45)51(40-17-13-10-14-18-40)53(52)48(44)41-24-20-37(21-25-41)33(2)3/h9-32H,2,4,6,8H2,1,3,5,7H3
InChIKeyIWDOZLMTKQKWCT-UHFFFAOYSA-N
XLogP15.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.93
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene with MolForge

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Related Compounds

2-ethyl-10-phenylanthracen-9-ol
CID 71405477
acetic acid;2-ethyl-10-phenylanthracen-9-ol
CID 71405476
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
2-prop-1-en-2-yltriphenylene
CID 142551751
2-phenyl-6-[2-(4-prop-1-en-2-ylphenyl)ethyl]naphthalene
CID 58428339
1-ethenyl-4-ethylbenzene;prop-1-en-2-ylbenzene
CID 159036970
2,8-ditert-butyl-6,12-bis(4-methylphenyl)-5,11-diphenyltetracene
CID 162426507
methane;propane;prop-1-en-2-ylbenzene
CID 145329923
3,6-bis[4-(3,6-diethylcarbazol-9-yl)phenyl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307006
2-ethyl-9,10-bis(3-naphthalen-1-ylphenyl)anthracene
CID 58672231
2,8-ditert-butyl-5,11-bis(4-tert-butylphenyl)-6,12-diphenyltetracene;ethane;ethene
CID 162739404
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene?
The IUPAC name of 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene (CID 145010127) is 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene.
What is the SMILES notation for 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene?
The canonical SMILES for 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene is C=C(C)c1ccc(-c2c3ccc(CC)cc3c(-c3ccccc3)c3c(-c4ccc(C(=C)C)cc4)c4ccc(C(=C)C)cc4c(-c4ccccc4)c23)cc1.
What is the InChIKey of 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene?
The InChIKey is IWDOZLMTKQKWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H44/c1-8-36-19-29-44-46(31-36)50(39-15-11-9-12-16-39)52-49(42-26-22-38(23-27-42)34(4)5)45-30-28-43(35(6)7)32-47(45)51(40-17-13-10-14-18-40)53(52)48(44)41-24-20-37(21-25-41)33(2)3/h9-32H,2,4,6,8H2,1,3,5,7H3.
What are the key properties of 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene?
2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene has a molecular weight of 680.93 g/mol, XLogP of 15.48, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,12-diphenyl-8-prop-1-en-2-yl-5,11-bis(4-prop-1-en-2-ylphenyl)tetracene is sourced from PubChem (CID 145010127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).