2-propan-2-ylpentacene

C25H20 — CID 153380535

IUPAC2-propan-2-ylpentacene
SMILESCC(C)c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
InChIInChI=1S/C25H20/c1-16(2)17-7-8-20-12-24-14-22-10-18-5-3-4-6-19(18)11-23(22)15-25(24)13-21(20)9-17/h3-16H,1-2H3
InChIKeyRMCWJWLSDBHFBU-UHFFFAOYSA-N
MW320.44 g/mol
LogP7.42
Rot. Bonds1

About 2-propan-2-ylpentacene

2-propan-2-ylpentacene (PubChem CID 153380535) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-propan-2-ylpentacene.

Molecular Properties

Compound Name2-propan-2-ylpentacene
PubChem CID153380535
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name2-propan-2-ylpentacene
SMILESCC(C)c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
InChIInChI=1S/C25H20/c1-16(2)17-7-8-20-12-24-14-22-10-18-5-3-4-6-19(18)11-23(22)15-25(24)13-21(20)9-17/h3-16H,1-2H3
InChIKeyRMCWJWLSDBHFBU-UHFFFAOYSA-N
XLogP7.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-propan-2-ylnaphthalene
CID 142226111
2,9-di(propan-2-yl)pentacene
CID 153380534
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2-(3-propan-2-ylphenyl)anthracene
CID 175212128
1-naphthalen-2-ylethanethiol
CID 11672816
1-naphthalen-2-ylethanamine
CID 3857145
2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene
CID 59610790
[(1S)-1-naphthalen-2-ylethyl]azanium chloride
CID 155931519
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
anthracene;2-methylpropane
CID 142471530
3-naphthalen-2-ylbutan-2-amine
CID 66436107

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpentacene?
The IUPAC name of 2-propan-2-ylpentacene (CID 153380535) is 2-propan-2-ylpentacene.
What is the SMILES notation for 2-propan-2-ylpentacene?
The canonical SMILES for 2-propan-2-ylpentacene is CC(C)c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1.
What is the InChIKey of 2-propan-2-ylpentacene?
The InChIKey is RMCWJWLSDBHFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-16(2)17-7-8-20-12-24-14-22-10-18-5-3-4-6-19(18)11-23(22)15-25(24)13-21(20)9-17/h3-16H,1-2H3.
What are the key properties of 2-propan-2-ylpentacene?
2-propan-2-ylpentacene has a molecular weight of 320.44 g/mol, XLogP of 7.42, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpentacene is sourced from PubChem (CID 153380535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).