1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene

C26H30 — CID 23596899

IUPAC1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene
SMILESCC1=c2c(C)c3c(C)c4c(C)ccc(C)c4c(C)c3c(C)c2=C(C)CC1
InChIInChI=1S/C26H30/c1-13-9-10-14(2)22-18(6)26-20(8)24-16(4)12-11-15(3)23(24)19(7)25(26)17(5)21(13)22/h9-10H,11-12H2,1-8H3
InChIKeyLXUJCGXZYMVGDY-UHFFFAOYSA-N
MW342.53 g/mol
LogP5.98
Rot. Bonds

About 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene

1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene (PubChem CID 23596899) has the molecular formula C26H30 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene.

Molecular Properties

Compound Name1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene
PubChem CID23596899
Molecular FormulaC26H30
Molecular Weight342.53 g/mol
Exact Mass342.23
IUPAC Name1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene
SMILESCC1=c2c(C)c3c(C)c4c(C)ccc(C)c4c(C)c3c(C)c2=C(C)CC1
InChIInChI=1S/C26H30/c1-13-9-10-14(2)22-18(6)26-20(8)24-16(4)12-11-15(3)23(24)19(7)25(26)17(5)21(13)22/h9-10H,11-12H2,1-8H3
InChIKeyLXUJCGXZYMVGDY-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.53
LogP ≤ 55.98
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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Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene?
The IUPAC name of 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene (CID 23596899) is 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene.
What is the SMILES notation for 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene?
The canonical SMILES for 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene is CC1=c2c(C)c3c(C)c4c(C)ccc(C)c4c(C)c3c(C)c2=C(C)CC1.
What is the InChIKey of 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene?
The InChIKey is LXUJCGXZYMVGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30/c1-13-9-10-14(2)22-18(6)26-20(8)24-16(4)12-11-15(3)23(24)19(7)25(26)17(5)21(13)22/h9-10H,11-12H2,1-8H3.
What are the key properties of 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene?
1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene has a molecular weight of 342.53 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7,10,11,12-octamethyl-2,3-dihydrotetracene is sourced from PubChem (CID 23596899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).