ethane;methane;2-(4-methylphenyl)triphenylene

C29H32 — CID 144703361

IUPACethane;methane;2-(4-methylphenyl)triphenylene
SMILESC.C.CC.Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C25H18.C2H6.2CH4/c1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;1-2;;/h2-16H,1H3;1-2H3;2*1H4
InChIKeyBLIAYSYNITZPJF-UHFFFAOYSA-N
MW380.58 g/mol
LogP9.42
Rot. Bonds1

About ethane;methane;2-(4-methylphenyl)triphenylene

ethane;methane;2-(4-methylphenyl)triphenylene (PubChem CID 144703361) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is ethane;methane;2-(4-methylphenyl)triphenylene.

Molecular Properties

Compound Nameethane;methane;2-(4-methylphenyl)triphenylene
PubChem CID144703361
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Nameethane;methane;2-(4-methylphenyl)triphenylene
SMILESC.C.CC.Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C25H18.C2H6.2CH4/c1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;1-2;;/h2-16H,1H3;1-2H3;2*1H4
InChIKeyBLIAYSYNITZPJF-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 59.42
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

5-(4-methylphenyl)rubicene
CID 71421562
2-[4-[3-methyl-5-(4-triphenylen-2-ylphenyl)phenyl]phenyl]triphenylene
CID 59841979
ethane;2-(3-methylphenyl)triphenylene
CID 90881937
2,7-bis(3,5-dimethylphenyl)triphenylene
CID 58219988
2-(3-methylphenyl)triphenylene;2-methyltriphenylene
CID 160536482
2-(3,5-dimethylphenyl)-7-methyltriphenylene
CID 158973424
ethane;2-methyltriphenylene
CID 91569125
ethane;3-(4-methylphenyl)phenanthrene
CID 142353065
2,7-dimethyltriphenylene
CID 23261750
2-[3,5-bis(3,5-diphenylphenyl)phenyl]triphenylene
CID 167425355
2-phenyl-7-(3-phenylphenyl)triphenylene
CID 140787387
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

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-(4-methylphenyl)triphenylene?
The IUPAC name of ethane;methane;2-(4-methylphenyl)triphenylene (CID 144703361) is ethane;methane;2-(4-methylphenyl)triphenylene.
What is the SMILES notation for ethane;methane;2-(4-methylphenyl)triphenylene?
The canonical SMILES for ethane;methane;2-(4-methylphenyl)triphenylene is C.C.CC.Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of ethane;methane;2-(4-methylphenyl)triphenylene?
The InChIKey is BLIAYSYNITZPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18.C2H6.2CH4/c1-17-10-12-18(13-11-17)19-14-15-24-22-8-3-2-6-20(22)21-7-4-5-9-23(21)25(24)16-19;1-2;;/h2-16H,1H3;1-2H3;2*1H4.
What are the key properties of ethane;methane;2-(4-methylphenyl)triphenylene?
ethane;methane;2-(4-methylphenyl)triphenylene has a molecular weight of 380.58 g/mol, XLogP of 9.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-(4-methylphenyl)triphenylene is sourced from PubChem (CID 144703361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).