ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene

C19H20 — CID 145348048

IUPACethane;(4Z)-4-ethylidene-5-methylidenephenanthrene
SMILESC=c1cccc2ccc3ccc/c(=C/C)c3c12.CC
InChIInChI=1S/C17H14.C2H6/c1-3-13-7-5-9-15-11-10-14-8-4-6-12(2)16(14)17(13)15;1-2/h3-11H,2H2,1H3;1-2H3/b13-3+;
InChIKeyZLGLJKZGHBVLAS-QPZBGDMRSA-N
MW248.37 g/mol
LogP4.23
Rot. Bonds

About ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene

ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene (PubChem CID 145348048) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene.

Molecular Properties

Compound Nameethane;(4Z)-4-ethylidene-5-methylidenephenanthrene
PubChem CID145348048
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Nameethane;(4Z)-4-ethylidene-5-methylidenephenanthrene
SMILESC=c1cccc2ccc3ccc/c(=C/C)c3c12.CC
InChIInChI=1S/C17H14.C2H6/c1-3-13-7-5-9-15-11-10-14-8-4-6-12(2)16(14)17(13)15;1-2/h3-11H,2H2,1H3;1-2H3/b13-3+;
InChIKeyZLGLJKZGHBVLAS-QPZBGDMRSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

(4Z)-4-ethylidene-16-methylidenepentacyclo[8.8.0.02,7.03,17.013,18]octadeca-1(10),2(7),3(17),5,8,11,13(18),14-octaene
CID 153137523
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;ethane
CID 123449612
19-ethenyl-14-methylidenepentacyclo[13.3.1.05,18.08,17.011,16]nonadeca-1,3,5(18),6,8(17),9,11(16),12,15(19)-nonaene
CID 178113102
ethane;N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)methyl]ethanimine
CID 143906186
1-ethyl-9-methylidenephenalene
CID 149380156
anthracene;benzene;ethane;naphthalene;pyrene
CID 159655599
ethane;(9Z)-9-ethylidene-1,4-dimethylphenalene
CID 142353001
naphthalene;prop-1-ene
CID 22255850
4,5-dimethylphenanthrene;ethane
CID 143983787
pyrene;zirconium
CID 175873743
pyrene;dihydrobromide
CID 172822251
(5Z,6Z)-5,6-di(ethylidene)cyclohexa-1,3-diene;(2Z,3Z)-2,3-di(ethylidene)naphthalene;(1Z)-1-ethylidene-9-methylphenalene;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 160905157

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene?
The IUPAC name of ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene (CID 145348048) is ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene.
What is the SMILES notation for ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene?
The canonical SMILES for ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene is C=c1cccc2ccc3ccc/c(=C/C)c3c12.CC.
What is the InChIKey of ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene?
The InChIKey is ZLGLJKZGHBVLAS-QPZBGDMRSA-N. The full InChI is InChI=1S/C17H14.C2H6/c1-3-13-7-5-9-15-11-10-14-8-4-6-12(2)16(14)17(13)15;1-2/h3-11H,2H2,1H3;1-2H3/b13-3+;.
What are the key properties of ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene?
ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene has a molecular weight of 248.37 g/mol, XLogP of 4.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4Z)-4-ethylidene-5-methylidenephenanthrene is sourced from PubChem (CID 145348048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).