2-methyl-11-propyltriphenylene

C22H20 — CID 163874505

IUPAC2-methyl-11-propyltriphenylene
SMILESCCCc1ccc2c3ccccc3c3ccc(C)cc3c2c1
InChIInChI=1S/C22H20/c1-3-6-16-10-12-20-18-8-5-4-7-17(18)19-11-9-15(2)13-21(19)22(20)14-16/h4-5,7-14H,3,6H2,1-2H3
InChIKeyPNRULCAIYIKWBN-UHFFFAOYSA-N
MW284.40 g/mol
LogP6.41
Rot. Bonds2

About 2-methyl-11-propyltriphenylene

2-methyl-11-propyltriphenylene (PubChem CID 163874505) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-methyl-11-propyltriphenylene.

Molecular Properties

Compound Name2-methyl-11-propyltriphenylene
PubChem CID163874505
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name2-methyl-11-propyltriphenylene
SMILESCCCc1ccc2c3ccccc3c3ccc(C)cc3c2c1
InChIInChI=1S/C22H20/c1-3-6-16-10-12-20-18-8-5-4-7-17(18)19-11-9-15(2)13-21(19)22(20)14-16/h4-5,7-14H,3,6H2,1-2H3
InChIKeyPNRULCAIYIKWBN-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 56.41
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

2,7-dimethyltriphenylene
CID 23261750
ethane;2-methyltriphenylene
CID 91569125
2-methyl-8-propyldibenzothiophene
CID 144955696
3-butylpicene;3-decylpicene;3,10-di(tetradecyl)picene;3-dodecylpicene;3-ethylpicene;3-heptylpicene;3-hexylpicene;3-methylpicene;3-nonylpicene;3-octylpicene;3-pentylpicene;3-propylpicene;3-tetradecylpicene;3-tridecylpicene;3-undecylpicene
CID 158031871
2-methyl-7-propylnaphthalene
CID 59912073
2-methylphenanthrene-9,10-dithiol
CID 171785822
2,9,10-trimethylphenanthrene
CID 11345039
32-ethyl-37-methyltetradecacyclo[25.17.2.22,5.26,9.03,23.04,20.07,19.08,16.010,15.024,45.028,41.029,34.035,40.042,46]pentaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29(34),30,32,35(40),36,38,41,43,45,47,49-pentacosaene
CID 147389129
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
7-methyltriphenylen-2-ol
CID 88884826
1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran
CID 143904901
3-methyl-10-[[10-(phenanthren-3-ylmethyl)phenanthren-3-yl]methyl]phenanthrene
CID 123325766

Frequently Asked Questions

What is the IUPAC name of 2-methyl-11-propyltriphenylene?
The IUPAC name of 2-methyl-11-propyltriphenylene (CID 163874505) is 2-methyl-11-propyltriphenylene.
What is the SMILES notation for 2-methyl-11-propyltriphenylene?
The canonical SMILES for 2-methyl-11-propyltriphenylene is CCCc1ccc2c3ccccc3c3ccc(C)cc3c2c1.
What is the InChIKey of 2-methyl-11-propyltriphenylene?
The InChIKey is PNRULCAIYIKWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-3-6-16-10-12-20-18-8-5-4-7-17(18)19-11-9-15(2)13-21(19)22(20)14-16/h4-5,7-14H,3,6H2,1-2H3.
What are the key properties of 2-methyl-11-propyltriphenylene?
2-methyl-11-propyltriphenylene has a molecular weight of 284.40 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-11-propyltriphenylene is sourced from PubChem (CID 163874505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).