2,3,8,9-tetrabutyltetracene

C34H44 — CID 102053257

IUPAC2,3,8,9-tetrabutyltetracene
SMILESCCCCc1cc2cc3cc4cc(CCCC)c(CCCC)cc4cc3cc2cc1CCCC
InChIInChI=1S/C34H44/c1-5-9-13-25-17-29-21-33-23-31-19-27(15-11-7-3)28(16-12-8-4)20-32(31)24-34(33)22-30(29)18-26(25)14-10-6-2/h17-24H,5-16H2,1-4H3
InChIKeyHETQXYCFKFFSQN-UHFFFAOYSA-N
MW452.73 g/mol
LogP10.52
Rot. Bonds12

About 2,3,8,9-tetrabutyltetracene

2,3,8,9-tetrabutyltetracene (PubChem CID 102053257) has the molecular formula C34H44 and a molecular weight of 452.73 g/mol. Its IUPAC name is 2,3,8,9-tetrabutyltetracene.

Molecular Properties

Compound Name2,3,8,9-tetrabutyltetracene
PubChem CID102053257
Molecular FormulaC34H44
Molecular Weight452.73 g/mol
Exact Mass452.34
IUPAC Name2,3,8,9-tetrabutyltetracene
SMILESCCCCc1cc2cc3cc4cc(CCCC)c(CCCC)cc4cc3cc2cc1CCCC
InChIInChI=1S/C34H44/c1-5-9-13-25-17-29-21-33-23-31-19-27(15-11-7-3)28(16-12-8-4)20-32(31)24-34(33)22-30(29)18-26(25)14-10-6-2/h17-24H,5-16H2,1-4H3
InChIKeyHETQXYCFKFFSQN-UHFFFAOYSA-N
XLogP10.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 510.52
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

8,9,22,23-tetradodecylheptacyclo[14.12.0.02,15.04,13.06,11.018,27.020,25]octacosa-1,3,5,7,9,11,13,15,17,19,21,23,25,27-tetradecaene
CID 46220875
2,3-dioctadecylpentacene
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2,3-diheptylanthracene
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4,5-dibutylbenzene-1,2-dithiol
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2-butyl-3-methylnaphthalene
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8,9-dibutyl-22,23,36,37-tetramethyldecacyclo[38.2.2.22,5.212,15.216,19.226,29.230,33.06,11.020,25.034,39]tetrapentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-heptacosaene
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2,3,10,11-tetrahexylpicene
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1-iodyl-2,4,5-trioctadecylbenzene
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2-bromo-3-[2-(3-bromo-6,7-didodecylnaphthalen-2-yl)ethynyl]-6,7-didodecylnaphthalene
CID 118039414
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Frequently Asked Questions

What is the IUPAC name of 2,3,8,9-tetrabutyltetracene?
The IUPAC name of 2,3,8,9-tetrabutyltetracene (CID 102053257) is 2,3,8,9-tetrabutyltetracene.
What is the SMILES notation for 2,3,8,9-tetrabutyltetracene?
The canonical SMILES for 2,3,8,9-tetrabutyltetracene is CCCCc1cc2cc3cc4cc(CCCC)c(CCCC)cc4cc3cc2cc1CCCC.
What is the InChIKey of 2,3,8,9-tetrabutyltetracene?
The InChIKey is HETQXYCFKFFSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44/c1-5-9-13-25-17-29-21-33-23-31-19-27(15-11-7-3)28(16-12-8-4)20-32(31)24-34(33)22-30(29)18-26(25)14-10-6-2/h17-24H,5-16H2,1-4H3.
What are the key properties of 2,3,8,9-tetrabutyltetracene?
2,3,8,9-tetrabutyltetracene has a molecular weight of 452.73 g/mol, XLogP of 10.52, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8,9-tetrabutyltetracene is sourced from PubChem (CID 102053257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).