ethane;9-methylanthracene;naphthalene

C27H26 — CID 161226057

IUPACethane;9-methylanthracene;naphthalene
SMILESCC.Cc1c2ccccc2cc2ccccc12.c1ccc2ccccc2c1
InChIInChI=1S/C15H12.C10H8.C2H6/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h2-10H,1H3;1-8H;1-2H3
InChIKeyUYDGSDIULLVBBK-UHFFFAOYSA-N
MW350.51 g/mol
LogP8.17
Rot. Bonds

About ethane;9-methylanthracene;naphthalene

ethane;9-methylanthracene;naphthalene (PubChem CID 161226057) has the molecular formula C27H26 and a molecular weight of 350.51 g/mol. Its IUPAC name is ethane;9-methylanthracene;naphthalene.

Molecular Properties

Compound Nameethane;9-methylanthracene;naphthalene
PubChem CID161226057
Molecular FormulaC27H26
Molecular Weight350.51 g/mol
Exact Mass350.20
IUPAC Nameethane;9-methylanthracene;naphthalene
SMILESCC.Cc1c2ccccc2cc2ccccc12.c1ccc2ccccc2c1
InChIInChI=1S/C15H12.C10H8.C2H6/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h2-10H,1H3;1-8H;1-2H3
InChIKeyUYDGSDIULLVBBK-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 58.17
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

9-methylanthracene;naphthalene
CID 142881908
9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
lithium;hydride;9-methylanthracene
CID 174773747
5,13-dimethylpentacene;ethane
CID 144696296
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
anthracene;benzene;ethane;tris(9-methylanthracene);pyrene
CID 158651638
9-methylanthracene;2-methylthiophene
CID 143060558
6,13-dimethylpentacene;ethane
CID 123724624
2,10-dimethylanthracene;formaldehyde
CID 169199000
anthracene;ethane;naphthalene
CID 159079166
anthracene;benzene;9,10-dimethylanthracene;ethane;naphthalene;phenanthrene;pyrene
CID 159428909

Frequently Asked Questions

What is the IUPAC name of ethane;9-methylanthracene;naphthalene?
The IUPAC name of ethane;9-methylanthracene;naphthalene (CID 161226057) is ethane;9-methylanthracene;naphthalene.
What is the SMILES notation for ethane;9-methylanthracene;naphthalene?
The canonical SMILES for ethane;9-methylanthracene;naphthalene is CC.Cc1c2ccccc2cc2ccccc12.c1ccc2ccccc2c1.
What is the InChIKey of ethane;9-methylanthracene;naphthalene?
The InChIKey is UYDGSDIULLVBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C10H8.C2H6/c1-11-14-8-4-2-6-12(14)10-13-7-3-5-9-15(11)13;1-2-6-10-8-4-3-7-9(10)5-1;1-2/h2-10H,1H3;1-8H;1-2H3.
What are the key properties of ethane;9-methylanthracene;naphthalene?
ethane;9-methylanthracene;naphthalene has a molecular weight of 350.51 g/mol, XLogP of 8.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methylanthracene;naphthalene is sourced from PubChem (CID 161226057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).