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

C24H34 — CID 142106352

IUPACethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
SMILESC/C=C\c1c(C)c2ccccc2c2ccccc12.CC.CC.CC
InChIInChI=1S/C18H16.3C2H6/c1-3-8-14-13(2)15-9-4-5-11-17(15)18-12-7-6-10-16(14)18;3*1-2/h3-12H,1-2H3;3*1-2H3/b8-3-;;;
InChIKeyGHIPTTFVLLMNHE-XYAGXRERSA-N
MW322.54 g/mol
LogP8.41
Rot. Bonds1

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

ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene (PubChem CID 142106352) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene.

Molecular Properties

Compound Nameethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
PubChem CID142106352
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Nameethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene
SMILESC/C=C\c1c(C)c2ccccc2c2ccccc12.CC.CC.CC
InChIInChI=1S/C18H16.3C2H6/c1-3-8-14-13(2)15-9-4-5-11-17(15)18-12-7-6-10-16(14)18;3*1-2/h3-12H,1-2H3;3*1-2H3/b8-3-;;;
InChIKeyGHIPTTFVLLMNHE-XYAGXRERSA-N
XLogP8.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 58.41
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

9-ethenyl-10-methylphenanthrene
CID 123648763
ethane;(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120170
(4E)-2-methyl-3-methylidene-1-[(Z)-prop-1-enyl]-4-prop-2-enylidenenaphthalene
CID 145120171
9-ethenyl-1-methyl-10-[(Z)-prop-1-enyl]phenanthrene
CID 153357607
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
ethane;2,3,9,10-tetramethylanthracene
CID 143843330
1-(2,3,4,5-tetramethyl-6-prop-1-enylphenyl)naphthalene
CID 159474503
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]benzo[f]quinoxaline
CID 145189562
1,3-dimethyl-2-[(Z)-prop-1-enyl]indole;ethane
CID 144783393
ethane;1-methyl-2,3-bis[(Z)-prop-1-enyl]indole
CID 144820845
5-ethenyl-6-[(Z)-prop-1-enyl]benzo[h]isoquinoline
CID 130291492
2-methyl-1-(2-methylphenyl)-3-[(Z)-prop-1-enyl]indole
CID 144585528

Frequently Asked Questions

What is the IUPAC name of ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene?
The IUPAC name of ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene (CID 142106352) is ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene.
What is the SMILES notation for ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene?
The canonical SMILES for ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene is C/C=C\c1c(C)c2ccccc2c2ccccc12.CC.CC.CC.
What is the InChIKey of ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene?
The InChIKey is GHIPTTFVLLMNHE-XYAGXRERSA-N. The full InChI is InChI=1S/C18H16.3C2H6/c1-3-8-14-13(2)15-9-4-5-11-17(15)18-12-7-6-10-16(14)18;3*1-2/h3-12H,1-2H3;3*1-2H3/b8-3-;;;.
What are the key properties of ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene?
ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene has a molecular weight of 322.54 g/mol, XLogP of 8.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-methyl-10-[(Z)-prop-1-enyl]phenanthrene is sourced from PubChem (CID 142106352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).