1-(2-methylphenyl)picene

C29H20 — CID 173138076

IUPAC1-(2-methylphenyl)picene
SMILESCc1ccccc1-c1cccc2ccc3c4ccc5ccccc5c4ccc3c12
InChIInChI=1S/C29H20/c1-19-7-2-4-10-22(19)27-12-6-9-21-14-16-26-25-15-13-20-8-3-5-11-23(20)24(25)17-18-28(26)29(21)27/h2-18H,1H3
InChIKeyYOFNPWVTAPZLCZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP8.27
Rot. Bonds1

About 1-(2-methylphenyl)picene

1-(2-methylphenyl)picene (PubChem CID 173138076) has the molecular formula C29H20 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(2-methylphenyl)picene.

Molecular Properties

Compound Name1-(2-methylphenyl)picene
PubChem CID173138076
Molecular FormulaC29H20
Molecular Weight368.48 g/mol
Exact Mass368.16
IUPAC Name1-(2-methylphenyl)picene
SMILESCc1ccccc1-c1cccc2ccc3c4ccc5ccccc5c4ccc3c12
InChIInChI=1S/C29H20/c1-19-7-2-4-10-22(19)27-12-6-9-21-14-16-26-25-15-13-20-8-3-5-11-23(20)24(25)17-18-28(26)29(21)27/h2-18H,1H3
InChIKeyYOFNPWVTAPZLCZ-UHFFFAOYSA-N
XLogP8.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 58.27
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

1-(2,3-dimethylphenyl)phenanthrene
CID 175838627
methane;1-methylphenanthrene
CID 175001905
hexacyclo[12.8.0.02,7.03,21.08,13.017,22]docosa-1(14),2(7),3,5,8,10,12,15,17(22),18,20-undecaene
CID 21087955
1-[1-(2-phenanthren-1-ylphenyl)naphthalen-2-yl]picene
CID 166133840
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
1-picen-2-ylpicene
CID 173311295
phenanthrene;pyrene;triphenylene
CID 162115949
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
3-methyl-4-(2-methylphenyl)phenanthrene
CID 145272616
1-methylbenzo[a]anthracene;5-methylchrysene;4-methylphenanthrene;1-methyl-2-phenylbenzene
CID 162099603
ethane;fluoranthene;triphenylene
CID 160720447
ethane;2-(2-methylphenyl)-1-[2-(2-methylphenyl)naphthalen-1-yl]naphthalene
CID 91083814

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)picene?
The IUPAC name of 1-(2-methylphenyl)picene (CID 173138076) is 1-(2-methylphenyl)picene.
What is the SMILES notation for 1-(2-methylphenyl)picene?
The canonical SMILES for 1-(2-methylphenyl)picene is Cc1ccccc1-c1cccc2ccc3c4ccc5ccccc5c4ccc3c12.
What is the InChIKey of 1-(2-methylphenyl)picene?
The InChIKey is YOFNPWVTAPZLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20/c1-19-7-2-4-10-22(19)27-12-6-9-21-14-16-26-25-15-13-20-8-3-5-11-23(20)24(25)17-18-28(26)29(21)27/h2-18H,1H3.
What are the key properties of 1-(2-methylphenyl)picene?
1-(2-methylphenyl)picene has a molecular weight of 368.48 g/mol, XLogP of 8.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)picene is sourced from PubChem (CID 173138076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).