6,11-dibutyl-1,2,3,4-tetraethyltetracene

C34H44 — CID 58766221

IUPAC6,11-dibutyl-1,2,3,4-tetraethyltetracene
SMILESCCCCc1c2ccccc2c(CCCC)c2cc3c(CC)c(CC)c(CC)c(CC)c3cc12
InChIInChI=1S/C34H44/c1-7-13-17-29-27-19-15-16-20-28(27)30(18-14-8-2)34-22-32-26(12-6)24(10-4)23(9-3)25(11-5)31(32)21-33(29)34/h15-16,19-22H,7-14,17-18H2,1-6H3
InChIKeyHGNDXUDCTJWYEY-UHFFFAOYSA-N
MW452.73 g/mol
LogP10.08
Rot. Bonds10

About 6,11-dibutyl-1,2,3,4-tetraethyltetracene

6,11-dibutyl-1,2,3,4-tetraethyltetracene (PubChem CID 58766221) has the molecular formula C34H44 and a molecular weight of 452.73 g/mol. Its IUPAC name is 6,11-dibutyl-1,2,3,4-tetraethyltetracene.

Molecular Properties

Compound Name6,11-dibutyl-1,2,3,4-tetraethyltetracene
PubChem CID58766221
Molecular FormulaC34H44
Molecular Weight452.73 g/mol
Exact Mass452.34
IUPAC Name6,11-dibutyl-1,2,3,4-tetraethyltetracene
SMILESCCCCc1c2ccccc2c(CCCC)c2cc3c(CC)c(CC)c(CC)c(CC)c3cc12
InChIInChI=1S/C34H44/c1-7-13-17-29-27-19-15-16-20-28(27)30(18-14-8-2)34-22-32-26(12-6)24(10-4)23(9-3)25(11-5)31(32)21-33(29)34/h15-16,19-22H,7-14,17-18H2,1-6H3
InChIKeyHGNDXUDCTJWYEY-UHFFFAOYSA-N
XLogP10.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.73
LogP ≤ 510.08
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

1,2,3,4,6,11-hexabutyltetracene
CID 102079773
9,10-dibutylanthracene
CID 605822
2,3-bis(bromomethyl)-1,4-dibutyl-5,6,7,8-tetraethylanthracene
CID 11973933
9-butyl-10-methylanthracene
CID 22754688
2,3-diethyl-1-methyl-4-propylnaphthalene
CID 139700920
1,2,3,4-tetrabutylpentacene
CID 22061721
69,70,71,72-tetrabutyltridecacyclo[63.3.1.114,18.131,35.148,52.05,68.010,15.017,22.027,32.034,39.044,49.051,56.061,66]doheptaconta-1(69),2,4,10(15),11,13,16,18(72),19,21,27,29,31(71),32,34(39),35,37,44,46,48(70),49,51(56),52,54,61(66),62,64,67-octacosaen-6,8,23,25,40,42,57,59-octayne
CID 101355531
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
9-butylacridine
CID 606127
9-bromo-10-hexylanthracene
CID 141284839
2,3-diethyl-1,4-dimethylnaphthalene
CID 59270753
10-octylanthracen-9-amine
CID 87887624

Frequently Asked Questions

What is the IUPAC name of 6,11-dibutyl-1,2,3,4-tetraethyltetracene?
The IUPAC name of 6,11-dibutyl-1,2,3,4-tetraethyltetracene (CID 58766221) is 6,11-dibutyl-1,2,3,4-tetraethyltetracene.
What is the SMILES notation for 6,11-dibutyl-1,2,3,4-tetraethyltetracene?
The canonical SMILES for 6,11-dibutyl-1,2,3,4-tetraethyltetracene is CCCCc1c2ccccc2c(CCCC)c2cc3c(CC)c(CC)c(CC)c(CC)c3cc12.
What is the InChIKey of 6,11-dibutyl-1,2,3,4-tetraethyltetracene?
The InChIKey is HGNDXUDCTJWYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44/c1-7-13-17-29-27-19-15-16-20-28(27)30(18-14-8-2)34-22-32-26(12-6)24(10-4)23(9-3)25(11-5)31(32)21-33(29)34/h15-16,19-22H,7-14,17-18H2,1-6H3.
What are the key properties of 6,11-dibutyl-1,2,3,4-tetraethyltetracene?
6,11-dibutyl-1,2,3,4-tetraethyltetracene has a molecular weight of 452.73 g/mol, XLogP of 10.08, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dibutyl-1,2,3,4-tetraethyltetracene is sourced from PubChem (CID 58766221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).