1-ethenyl-2-(4-pentylphenyl)tetracene

C31H28 — CID 173173804

IUPAC1-ethenyl-2-(4-pentylphenyl)tetracene
SMILESC=Cc1c(-c2ccc(CCCCC)cc2)ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C31H28/c1-3-5-6-9-22-12-14-23(15-13-22)30-17-16-26-20-27-18-24-10-7-8-11-25(24)19-28(27)21-31(26)29(30)4-2/h4,7-8,10-21H,2-3,5-6,9H2,1H3
InChIKeyATAWUPWHVGLULK-UHFFFAOYSA-N
MW400.57 g/mol
LogP9.19
Rot. Bonds6

About 1-ethenyl-2-(4-pentylphenyl)tetracene

1-ethenyl-2-(4-pentylphenyl)tetracene (PubChem CID 173173804) has the molecular formula C31H28 and a molecular weight of 400.57 g/mol. Its IUPAC name is 1-ethenyl-2-(4-pentylphenyl)tetracene.

Molecular Properties

Compound Name1-ethenyl-2-(4-pentylphenyl)tetracene
PubChem CID173173804
Molecular FormulaC31H28
Molecular Weight400.57 g/mol
Exact Mass400.22
IUPAC Name1-ethenyl-2-(4-pentylphenyl)tetracene
SMILESC=Cc1c(-c2ccc(CCCCC)cc2)ccc2cc3cc4ccccc4cc3cc12
InChIInChI=1S/C31H28/c1-3-5-6-9-22-12-14-23(15-13-22)30-17-16-26-20-27-18-24-10-7-8-11-25(24)19-28(27)21-31(26)29(30)4-2/h4,7-8,10-21H,2-3,5-6,9H2,1H3
InChIKeyATAWUPWHVGLULK-UHFFFAOYSA-N
XLogP9.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 59.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-ethenyl-2-heptylanthracene
CID 173321573
1-ethenyl-2-hexylanthracene
CID 18927849
2-octylanthracene
CID 23131226
5,11-bis(4-pentylphenyl)tetracene
CID 132571362
2-pentylnaphthalene;prop-1-ene
CID 173098363
1-ethenyl-2-(4-hexylphenyl)benzene
CID 173095750
18-nonylpentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2,4,6,8,10,12,15(20),16,18,21-undecaene
CID 123838982
2-ethenyl-1-heptylanthracene
CID 19033824
7,20-dipentylhexacyclo[12.12.0.02,11.04,9.015,24.017,22]hexacosa-1(14),2,4(9),5,7,10,12,15,17(22),18,20,23,25-tridecaene
CID 58411397
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
1-dodecylpentacene
CID 141370235

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-(4-pentylphenyl)tetracene?
The IUPAC name of 1-ethenyl-2-(4-pentylphenyl)tetracene (CID 173173804) is 1-ethenyl-2-(4-pentylphenyl)tetracene.
What is the SMILES notation for 1-ethenyl-2-(4-pentylphenyl)tetracene?
The canonical SMILES for 1-ethenyl-2-(4-pentylphenyl)tetracene is C=Cc1c(-c2ccc(CCCCC)cc2)ccc2cc3cc4ccccc4cc3cc12.
What is the InChIKey of 1-ethenyl-2-(4-pentylphenyl)tetracene?
The InChIKey is ATAWUPWHVGLULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28/c1-3-5-6-9-22-12-14-23(15-13-22)30-17-16-26-20-27-18-24-10-7-8-11-25(24)19-28(27)21-31(26)29(30)4-2/h4,7-8,10-21H,2-3,5-6,9H2,1H3.
What are the key properties of 1-ethenyl-2-(4-pentylphenyl)tetracene?
1-ethenyl-2-(4-pentylphenyl)tetracene has a molecular weight of 400.57 g/mol, XLogP of 9.19, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-(4-pentylphenyl)tetracene is sourced from PubChem (CID 173173804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).