6,13-dimethylpentacene;ethane

C28H30 — CID 123724624

IUPAC6,13-dimethylpentacene;ethane
SMILESCC.CC.Cc1c2cc3ccccc3cc2c(C)c2cc3ccccc3cc12
InChIInChI=1S/C24H18.2C2H6/c1-15-21-11-17-7-3-5-9-19(17)13-23(21)16(2)24-14-20-10-6-4-8-18(20)12-22(15)24;2*1-2/h3-14H,1-2H3;2*1-2H3
InChIKeyIWWAREGYYVGGCW-UHFFFAOYSA-N
MW366.55 g/mol
LogP8.97
Rot. Bonds

About 6,13-dimethylpentacene;ethane

6,13-dimethylpentacene;ethane (PubChem CID 123724624) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 6,13-dimethylpentacene;ethane.

Molecular Properties

Compound Name6,13-dimethylpentacene;ethane
PubChem CID123724624
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name6,13-dimethylpentacene;ethane
SMILESCC.CC.Cc1c2cc3ccccc3cc2c(C)c2cc3ccccc3cc12
InChIInChI=1S/C24H18.2C2H6/c1-15-21-11-17-7-3-5-9-19(17)13-23(21)16(2)24-14-20-10-6-4-8-18(20)12-22(15)24;2*1-2/h3-14H,1-2H3;2*1-2H3
InChIKeyIWWAREGYYVGGCW-UHFFFAOYSA-N
XLogP8.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 58.97
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

5,13-dimethylpentacene;ethane
CID 144696296
12,17-dimethyloctacyclo[14.14.2.02,11.04,9.013,31.018,27.020,25.028,32]dotriaconta-1(31),2,4,6,8,10,12,14,16,18,20,22,24,26,28(32),29-hexadecaene
CID 59073288
ethane;9-methylanthracene;naphthalene
CID 161226057
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
ethane;2,3,9,10-tetramethylanthracene
CID 143843330
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
anthracene;ethane;naphthalene
CID 159079166
ethane;pentacene
CID 91470616
anthracene;benzene;ethane;tris(9-methylanthracene);pyrene
CID 158651638
1,2,3-trimethylanthracene
CID 3034428
lithium;hydride;9-methylanthracene
CID 174773747

Frequently Asked Questions

What is the IUPAC name of 6,13-dimethylpentacene;ethane?
The IUPAC name of 6,13-dimethylpentacene;ethane (CID 123724624) is 6,13-dimethylpentacene;ethane.
What is the SMILES notation for 6,13-dimethylpentacene;ethane?
The canonical SMILES for 6,13-dimethylpentacene;ethane is CC.CC.Cc1c2cc3ccccc3cc2c(C)c2cc3ccccc3cc12.
What is the InChIKey of 6,13-dimethylpentacene;ethane?
The InChIKey is IWWAREGYYVGGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18.2C2H6/c1-15-21-11-17-7-3-5-9-19(17)13-23(21)16(2)24-14-20-10-6-4-8-18(20)12-22(15)24;2*1-2/h3-14H,1-2H3;2*1-2H3.
What are the key properties of 6,13-dimethylpentacene;ethane?
6,13-dimethylpentacene;ethane has a molecular weight of 366.55 g/mol, XLogP of 8.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dimethylpentacene;ethane is sourced from PubChem (CID 123724624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).