ethane;3-(4-methylphenyl)phenanthrene

C23H22 — CID 142353065

IUPACethane;3-(4-methylphenyl)phenanthrene
SMILESCC.Cc1ccc(-c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C21H16.C2H6/c1-15-6-8-16(9-7-15)19-13-12-18-11-10-17-4-2-3-5-20(17)21(18)14-19;1-2/h2-14H,1H3;1-2H3
InChIKeyHMARCDWOBWMPQS-UHFFFAOYSA-N
MW298.43 g/mol
LogP6.99
Rot. Bonds1

About ethane;3-(4-methylphenyl)phenanthrene

ethane;3-(4-methylphenyl)phenanthrene (PubChem CID 142353065) has the molecular formula C23H22 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethane;3-(4-methylphenyl)phenanthrene.

Molecular Properties

Compound Nameethane;3-(4-methylphenyl)phenanthrene
PubChem CID142353065
Molecular FormulaC23H22
Molecular Weight298.43 g/mol
Exact Mass298.17
IUPAC Nameethane;3-(4-methylphenyl)phenanthrene
SMILESCC.Cc1ccc(-c2ccc3ccc4ccccc4c3c2)cc1
InChIInChI=1S/C21H16.C2H6/c1-15-6-8-16(9-7-15)19-13-12-18-11-10-17-4-2-3-5-20(17)21(18)14-19;1-2/h2-14H,1H3;1-2H3
InChIKeyHMARCDWOBWMPQS-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze ethane;3-(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

4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 118122906
ethane;2-[6-(6-picen-2-ylnaphthalen-2-yl)naphthalen-2-yl]picene
CID 144660008
3-chrysen-3-yl-9-phenylchrysene
CID 140818401
anthracene;bis(1,1'-biphenyl);1,4-diphenylbenzene;ethane;naphthalene;phenanthrene;toluene
CID 161125240
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
3-(4-bromophenyl)phenanthrene
CID 58038107
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
1,1'-biphenyl;1,4-diphenylbenzene;ethane;naphthalene;phenanthrene
CID 158841778
phenanthrene;toluene
CID 158347700
9-methyl-10-phenanthren-3-ylanthracene
CID 123866149

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-methylphenyl)phenanthrene?
The IUPAC name of ethane;3-(4-methylphenyl)phenanthrene (CID 142353065) is ethane;3-(4-methylphenyl)phenanthrene.
What is the SMILES notation for ethane;3-(4-methylphenyl)phenanthrene?
The canonical SMILES for ethane;3-(4-methylphenyl)phenanthrene is CC.Cc1ccc(-c2ccc3ccc4ccccc4c3c2)cc1.
What is the InChIKey of ethane;3-(4-methylphenyl)phenanthrene?
The InChIKey is HMARCDWOBWMPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16.C2H6/c1-15-6-8-16(9-7-15)19-13-12-18-11-10-17-4-2-3-5-20(17)21(18)14-19;1-2/h2-14H,1H3;1-2H3.
What are the key properties of ethane;3-(4-methylphenyl)phenanthrene?
ethane;3-(4-methylphenyl)phenanthrene has a molecular weight of 298.43 g/mol, XLogP of 6.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-methylphenyl)phenanthrene is sourced from PubChem (CID 142353065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).