ethane;2-(3-methylphenyl)triphenylene

C33H42 — CID 90881937

IUPACethane;2-(3-methylphenyl)triphenylene
SMILESCC.CC.CC.CC.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C25H18.4C2H6/c1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;4*1-2/h2-16H,1H3;4*1-2H3
InChIKeyYWAUQWRQYHDNCR-UHFFFAOYSA-N
MW438.70 g/mol
LogP11.23
Rot. Bonds1

About ethane;2-(3-methylphenyl)triphenylene

ethane;2-(3-methylphenyl)triphenylene (PubChem CID 90881937) has the molecular formula C33H42 and a molecular weight of 438.70 g/mol. Its IUPAC name is ethane;2-(3-methylphenyl)triphenylene.

Molecular Properties

Compound Nameethane;2-(3-methylphenyl)triphenylene
PubChem CID90881937
Molecular FormulaC33H42
Molecular Weight438.70 g/mol
Exact Mass438.33
IUPAC Nameethane;2-(3-methylphenyl)triphenylene
SMILESCC.CC.CC.CC.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1
InChIInChI=1S/C25H18.4C2H6/c1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;4*1-2/h2-16H,1H3;4*1-2H3
InChIKeyYWAUQWRQYHDNCR-UHFFFAOYSA-N
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.70
LogP ≤ 511.23
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

2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2,7-bis(3,5-dimethylphenyl)triphenylene
CID 58219988
ethane;methane;2-(4-methylphenyl)triphenylene
CID 144703361
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
2,7-bis(3,5-diphenylphenyl)triphenylene;2-[3-[3,5-bis(3-methylphenyl)phenyl]phenyl]triphenylene;2-(3-tert-butyl-5-triphenylen-2-ylphenyl)triphenylene;2-[3-[3-(4-phenylphenyl)phenyl]phenyl]triphenylene
CID 158945524
2-(3,5-dimethylphenyl)-7-methyltriphenylene
CID 158973424
2-[4-[3-methyl-5-(4-triphenylen-2-ylphenyl)phenyl]phenyl]triphenylene
CID 59841979
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
9,10-bis(3-methylphenyl)-2,6-diphenylanthracene
CID 142700277
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylphenyl)triphenylene?
The IUPAC name of ethane;2-(3-methylphenyl)triphenylene (CID 90881937) is ethane;2-(3-methylphenyl)triphenylene.
What is the SMILES notation for ethane;2-(3-methylphenyl)triphenylene?
The canonical SMILES for ethane;2-(3-methylphenyl)triphenylene is CC.CC.CC.CC.Cc1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1.
What is the InChIKey of ethane;2-(3-methylphenyl)triphenylene?
The InChIKey is YWAUQWRQYHDNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.4C2H6/c1-17-7-6-8-18(15-17)19-13-14-24-22-11-3-2-9-20(22)21-10-4-5-12-23(21)25(24)16-19;4*1-2/h2-16H,1H3;4*1-2H3.
What are the key properties of ethane;2-(3-methylphenyl)triphenylene?
ethane;2-(3-methylphenyl)triphenylene has a molecular weight of 438.70 g/mol, XLogP of 11.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylphenyl)triphenylene is sourced from PubChem (CID 90881937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).