9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene

C20H18 — CID 153357607

IUPAC9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
SMILESC=Cc1c(/C=C\C)c2c(C)cccc2c2ccccc12
InChIInChI=1S/C20H18/c1-4-9-18-15(5-2)16-11-6-7-12-17(16)19-13-8-10-14(3)20(18)19/h4-13H,2H2,1,3H3/b9-4-
InChIKeyXWPWRSKBYQWGQO-WTKPLQERSA-N
MW258.36 g/mol
LogP5.98
Rot. Bonds2

About 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene

9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene (PubChem CID 153357607) has the molecular formula C20H18 and a molecular weight of 258.36 g/mol. Its IUPAC name is 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene.

Molecular Properties

Compound Name9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
PubChem CID153357607
Molecular FormulaC20H18
Molecular Weight258.36 g/mol
Exact Mass258.14
IUPAC Name9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
SMILESC=Cc1c(/C=C\C)c2c(C)cccc2c2ccccc12
InChIInChI=1S/C20H18/c1-4-9-18-15(5-2)16-11-6-7-12-17(16)19-13-8-10-14(3)20(18)19/h4-13H,2H2,1,3H3/b9-4-
InChIKeyXWPWRSKBYQWGQO-WTKPLQERSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.36
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]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

1,2-bis(ethenyl)-3,5-dimethylbenzo[10]annulene
CID 143743667
5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
CID 130291492
7-bromo-5-ethenyl-6-[(Z)-prop-1-enyl]naphtho[1,2-b][1]benzofuran
CID 145373970
9-ethenyl-10-methylphenanthrene
CID 123648763
2,3-bis(ethenyl)-1,4,5-trimethylnaphthalene
CID 143715386
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 130336629
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 142106352
1,4-dibromo-2-ethenyl-3-prop-1-enylnaphthalene
CID 123587907
[9-ethenyl-10-[(Z)-prop-1-enyl]phenanthren-3-yl]boronic acid
CID 145237300
4-ethenyl-2,3,5-trimethylnaphthalen-1-amine
CID 54134922
2-methyl-1-prop-1-enylnaphthalene
CID 123646968

Frequently Asked Questions

What is the IUPAC name of 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene?
The IUPAC name of 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene (CID 153357607) is 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene.
What is the SMILES notation for 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene?
The canonical SMILES for 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene is C=Cc1c(/C=C\C)c2c(C)cccc2c2ccccc12.
What is the InChIKey of 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene?
The InChIKey is XWPWRSKBYQWGQO-WTKPLQERSA-N. The full InChI is InChI=1S/C20H18/c1-4-9-18-15(5-2)16-11-6-7-12-17(16)19-13-8-10-14(3)20(18)19/h4-13H,2H2,1,3H3/b9-4-.
What are the key properties of 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene?
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene has a molecular weight of 258.36 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene is sourced from PubChem (CID 153357607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).