1,2,3,4-tetrapropylanthracene

C26H34 — CID 15504630

IUPAC1,2,3,4-tetrapropylanthracene
SMILESCCCc1c(CCC)c(CCC)c2cc3ccccc3cc2c1CCC
InChIInChI=1S/C26H34/c1-5-11-21-22(12-6-2)24(14-8-4)26-18-20-16-10-9-15-19(20)17-25(26)23(21)13-7-3/h9-10,15-18H,5-8,11-14H2,1-4H3
InChIKeyAXVBLWPSAKCHHI-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.80
Rot. Bonds8

About 1,2,3,4-tetrapropylanthracene

1,2,3,4-tetrapropylanthracene (PubChem CID 15504630) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1,2,3,4-tetrapropylanthracene.

Molecular Properties

Compound Name1,2,3,4-tetrapropylanthracene
PubChem CID15504630
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1,2,3,4-tetrapropylanthracene
SMILESCCCc1c(CCC)c(CCC)c2cc3ccccc3cc2c1CCC
InChIInChI=1S/C26H34/c1-5-11-21-22(12-6-2)24(14-8-4)26-18-20-16-10-9-15-19(20)17-25(26)23(21)13-7-3/h9-10,15-18H,5-8,11-14H2,1-4H3
InChIKeyAXVBLWPSAKCHHI-UHFFFAOYSA-N
XLogP7.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.80
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-tetrabutylpentacene
CID 22061721
6-propyl-13-[2,4,5-tris(13-propylpentacen-6-yl)phenyl]pentacene
CID 23594419
2-methyl-3-propylbenzo[f][1]benzothiole
CID 144639190
1,2,3,4,6,11-hexabutyltetracene
CID 102079773
3,4-dipropylnaphthalene-2-sulfonic acid
CID 101323866
6-tert-butyl-1,2,3,4-tetrapropylnaphthalene
CID 101211334
5,17-dipropylnonacyclo[19.11.1.17,11.02,20.04,18.06,16.023,28.029,33.015,34]tetratriaconta-1(32),2,4(18),5,7,9,11(34),12,14,16,19,21,23,25,27,29(33),30-heptadecaene
CID 58470867
acridine;9-propylacridine
CID 146450775
ethane;9-methyl-10-propylanthracene
CID 144649779
1-[(2,3-dipropylnaphthalen-1-yl)disulfanyl]-2,3-dipropylnaphthalene
CID 57287616
6-bromo-7-(2-phenylethynyl)-1,2,3,4-tetrapropylnaphthalene
CID 133188580
methanamine;1-propylnaphthalene
CID 174438724

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrapropylanthracene?
The IUPAC name of 1,2,3,4-tetrapropylanthracene (CID 15504630) is 1,2,3,4-tetrapropylanthracene.
What is the SMILES notation for 1,2,3,4-tetrapropylanthracene?
The canonical SMILES for 1,2,3,4-tetrapropylanthracene is CCCc1c(CCC)c(CCC)c2cc3ccccc3cc2c1CCC.
What is the InChIKey of 1,2,3,4-tetrapropylanthracene?
The InChIKey is AXVBLWPSAKCHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-5-11-21-22(12-6-2)24(14-8-4)26-18-20-16-10-9-15-19(20)17-25(26)23(21)13-7-3/h9-10,15-18H,5-8,11-14H2,1-4H3.
What are the key properties of 1,2,3,4-tetrapropylanthracene?
1,2,3,4-tetrapropylanthracene has a molecular weight of 346.56 g/mol, XLogP of 7.80, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrapropylanthracene is sourced from PubChem (CID 15504630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).