5,13-dimethylpentacene;ethane

C28H30 — CID 144696296

IUPAC5,13-dimethylpentacene;ethane
SMILESCC.CC.Cc1c2ccccc2cc2c(C)c3cc4ccccc4cc3cc12
InChIInChI=1S/C24H18.2C2H6/c1-15-21-10-6-5-9-19(21)13-23-16(2)22-12-18-8-4-3-7-17(18)11-20(22)14-24(15)23;2*1-2/h3-14H,1-2H3;2*1-2H3
InChIKeyORVAKVMEMKQTLJ-UHFFFAOYSA-N
MW366.55 g/mol
LogP8.97
Rot. Bonds

About 5,13-dimethylpentacene;ethane

5,13-dimethylpentacene;ethane (PubChem CID 144696296) has the molecular formula C28H30 and a molecular weight of 366.55 g/mol. Its IUPAC name is 5,13-dimethylpentacene;ethane.

Molecular Properties

Compound Name5,13-dimethylpentacene;ethane
PubChem CID144696296
Molecular FormulaC28H30
Molecular Weight366.55 g/mol
Exact Mass366.23
IUPAC Name5,13-dimethylpentacene;ethane
SMILESCC.CC.Cc1c2ccccc2cc2c(C)c3cc4ccccc4cc3cc12
InChIInChI=1S/C24H18.2C2H6/c1-15-21-10-6-5-9-19(21)13-23-16(2)22-12-18-8-4-3-7-17(18)11-20(22)14-24(15)23;2*1-2/h3-14H,1-2H3;2*1-2H3
InChIKeyORVAKVMEMKQTLJ-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

ethane;9-methylanthracene;naphthalene
CID 161226057
6,13-dimethylpentacene;ethane
CID 123724624
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
lithium;hydride;9-methylanthracene
CID 174773747
anthracene;benzene;ethane;tris(9-methylanthracene);pyrene
CID 158651638
2,6-dimethylanthracene;bis(2,9-dimethylanthracene);bis(2,10-dimethylanthracene)
CID 159448602
33-methyloctacyclo[26.2.2.22,5.26,9.210,13.214,17.118,22.123,27]dotetraconta-1(30),2(42),3,5(41),6(40),7,9(39),10(38),11,13(37),14(36),15,17(35),18(34),19,21,23,25,27(33),28,31-henicosaene
CID 153310612
9-methylanthracene;2-methylnaphthalene
CID 159699144
1,2,3-trimethylanthracene
CID 3034428
2,10-dimethylanthracene;formaldehyde
CID 169199000
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

Frequently Asked Questions

What is the IUPAC name of 5,13-dimethylpentacene;ethane?
The IUPAC name of 5,13-dimethylpentacene;ethane (CID 144696296) is 5,13-dimethylpentacene;ethane.
What is the SMILES notation for 5,13-dimethylpentacene;ethane?
The canonical SMILES for 5,13-dimethylpentacene;ethane is CC.CC.Cc1c2ccccc2cc2c(C)c3cc4ccccc4cc3cc12.
What is the InChIKey of 5,13-dimethylpentacene;ethane?
The InChIKey is ORVAKVMEMKQTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18.2C2H6/c1-15-21-10-6-5-9-19(21)13-23-16(2)22-12-18-8-4-3-7-17(18)11-20(22)14-24(15)23;2*1-2/h3-14H,1-2H3;2*1-2H3.
What are the key properties of 5,13-dimethylpentacene;ethane?
5,13-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 5,13-dimethylpentacene;ethane is sourced from PubChem (CID 144696296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).