3-butan-2-ylperylene

C24H20 — CID 22974645

IUPAC3-butan-2-ylperylene
SMILESCCC(C)c1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C24H20/c1-3-15(2)17-13-14-22-20-10-5-8-16-7-4-9-19(23(16)20)21-12-6-11-18(17)24(21)22/h4-15H,3H2,1-2H3
InChIKeyPVFWOIZNWXTGOX-UHFFFAOYSA-N
MW308.42 g/mol
LogP7.25
Rot. Bonds2

About 3-butan-2-ylperylene

3-butan-2-ylperylene (PubChem CID 22974645) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-butan-2-ylperylene.

Molecular Properties

Compound Name3-butan-2-ylperylene
PubChem CID22974645
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name3-butan-2-ylperylene
SMILESCCC(C)c1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C24H20/c1-3-15(2)17-13-14-22-20-10-5-8-16-7-4-9-19(23(16)20)21-12-6-11-18(17)24(21)22/h4-15H,3H2,1-2H3
InChIKeyPVFWOIZNWXTGOX-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

4-butan-2-ylpyrene
CID 155644437
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
butane;perylene
CID 159762170
chrysene;icosakis(2-methylpropane);perylene;phenanthrene;pyrene;triphenylene
CID 162052721
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
1-pyren-1-ylpropan-1-amine
CID 57432894
4-butan-2-ylnaphthalen-1-amine
CID 142179577
1-pyren-1-ylpropan-1-amine;hydrochloride
CID 57432893
3,8-di(butan-2-yl)-1-N,6-N-dinaphthalen-1-yl-1-N,6-N-diphenylpyrene-1,6-diamine
CID 143848232
3-(2-butan-2-yloxyethoxy)perylene;methane
CID 161464662
3-fluoroperylene
CID 10978520
1,5-di(butan-2-yl)naphthalene-2-sulfonic acid
CID 57028772

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-ylperylene?
The IUPAC name of 3-butan-2-ylperylene (CID 22974645) is 3-butan-2-ylperylene.
What is the SMILES notation for 3-butan-2-ylperylene?
The canonical SMILES for 3-butan-2-ylperylene is CCC(C)c1ccc2c3cccc4cccc(c5cccc1c52)c43.
What is the InChIKey of 3-butan-2-ylperylene?
The InChIKey is PVFWOIZNWXTGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-3-15(2)17-13-14-22-20-10-5-8-16-7-4-9-19(23(16)20)21-12-6-11-18(17)24(21)22/h4-15H,3H2,1-2H3.
What are the key properties of 3-butan-2-ylperylene?
3-butan-2-ylperylene has a molecular weight of 308.42 g/mol, XLogP of 7.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-ylperylene is sourced from PubChem (CID 22974645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).