9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene

C26H22 — CID 167485160

IUPAC9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene
SMILESC=Cc1c(C=C)c2cc(-c3ccc(C)cc3)ccc2c2ccc(C)cc12
InChIInChI=1S/C26H22/c1-5-21-22(6-2)26-16-20(19-10-7-17(3)8-11-19)12-14-24(26)23-13-9-18(4)15-25(21)23/h5-16H,1-2H2,3-4H3
InChIKeyGAYHFSFGOLEEGZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.56
Rot. Bonds3

About 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene

9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene (PubChem CID 167485160) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene.

Molecular Properties

Compound Name9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene
PubChem CID167485160
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene
SMILESC=Cc1c(C=C)c2cc(-c3ccc(C)cc3)ccc2c2ccc(C)cc12
InChIInChI=1S/C26H22/c1-5-21-22(6-2)26-16-20(19-10-7-17(3)8-11-19)12-14-24(26)23-13-9-18(4)15-25(21)23/h5-16H,1-2H2,3-4H3
InChIKeyGAYHFSFGOLEEGZ-UHFFFAOYSA-N
XLogP7.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,31-dimethyl-13,26-bis(4-methylphenyl)nonacyclo[20.10.1.16,10.02,20.05,19.011,16.023,28.029,33.017,34]tetratriaconta-1,3,5,7,9,11(16),12,14,17(34),18,20,22(33),23(28),24,26,29,31-heptadecaene
CID 58402072
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
2,3-bis(ethenyl)-6-methylnaphthalene-1,4-dicarbonitrile
CID 142090428
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2-(3,5-dimethylphenyl)-7-methyltriphenylene
CID 158973424
1-(4-ethenylphenyl)-4-(4-methylphenyl)benzene
CID 123748481
9,10-bis(ethenyl)-6-(3-phenanthren-9-ylphenyl)-2-phenylphenanthrene
CID 143742613
3-ethenyl-1,2,5-trimethylindole
CID 89379856
ethane;1-ethenyl-2-ethyl-7-methylnaphthalene
CID 142614708
2,6,11-tris(3,5-dimethylphenyl)triphenylene
CID 58219987
2-(4-bromophenyl)-10-ethenyl-9-prop-2-enylphenanthrene
CID 142315626
5-(4-methylphenyl)rubicene
CID 71421562

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene?
The IUPAC name of 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene (CID 167485160) is 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene.
What is the SMILES notation for 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene?
The canonical SMILES for 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene is C=Cc1c(C=C)c2cc(-c3ccc(C)cc3)ccc2c2ccc(C)cc12.
What is the InChIKey of 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene?
The InChIKey is GAYHFSFGOLEEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-5-21-22(6-2)26-16-20(19-10-7-17(3)8-11-19)12-14-24(26)23-13-9-18(4)15-25(21)23/h5-16H,1-2H2,3-4H3.
What are the key properties of 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene?
9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene has a molecular weight of 334.46 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene is sourced from PubChem (CID 167485160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).