2,9-di(propan-2-yl)pentacene

C28H26 — CID 153380534

IUPAC2,9-di(propan-2-yl)pentacene
SMILESCC(C)c1ccc2cc3cc4cc5cc(C(C)C)ccc5cc4cc3cc2c1
InChIInChI=1S/C28H26/c1-17(2)19-5-7-21-11-25-16-28-14-24-10-20(18(3)4)6-8-22(24)12-26(28)15-27(25)13-23(21)9-19/h5-18H,1-4H3
InChIKeyQJRMVIRITDHTRO-UHFFFAOYSA-N
MW362.52 g/mol
LogP8.55
Rot. Bonds2

About 2,9-di(propan-2-yl)pentacene

2,9-di(propan-2-yl)pentacene (PubChem CID 153380534) has the molecular formula C28H26 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2,9-di(propan-2-yl)pentacene.

Molecular Properties

Compound Name2,9-di(propan-2-yl)pentacene
PubChem CID153380534
Molecular FormulaC28H26
Molecular Weight362.52 g/mol
Exact Mass362.20
IUPAC Name2,9-di(propan-2-yl)pentacene
SMILESCC(C)c1ccc2cc3cc4cc5cc(C(C)C)ccc5cc4cc3cc2c1
InChIInChI=1S/C28H26/c1-17(2)19-5-7-21-11-25-16-28-14-24-10-20(18(3)4)6-8-22(24)12-26(28)15-27(25)13-23(21)9-19/h5-18H,1-4H3
InChIKeyQJRMVIRITDHTRO-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 58.55
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

2-propan-2-ylpentacene
CID 153380535
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
ethane;2-propan-2-ylnaphthalene
CID 142226111
2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene
CID 59610790
cumene;ethane;methane;2-propan-2-ylnaphthalene
CID 158431045
2-hydroxy-6-propan-2-ylisoquinolin-2-ium
CID 144540144
3-ethoxy-2,6-di(propan-2-yl)naphthalene
CID 176586684
7-propan-2-ylisoquinolin-3-amine
CID 135215168
2-(3-propan-2-ylphenyl)anthracene
CID 175212128
6-propan-2-ylnaphthalene-2-sulfonamide
CID 142387587
2-(methoxymethyl)-6-propan-2-ylnaphthalene
CID 142029465
2,6-di(propan-2-yl)-3H-cyclopenta[b]naphthalene
CID 58565980

Frequently Asked Questions

What is the IUPAC name of 2,9-di(propan-2-yl)pentacene?
The IUPAC name of 2,9-di(propan-2-yl)pentacene (CID 153380534) is 2,9-di(propan-2-yl)pentacene.
What is the SMILES notation for 2,9-di(propan-2-yl)pentacene?
The canonical SMILES for 2,9-di(propan-2-yl)pentacene is CC(C)c1ccc2cc3cc4cc5cc(C(C)C)ccc5cc4cc3cc2c1.
What is the InChIKey of 2,9-di(propan-2-yl)pentacene?
The InChIKey is QJRMVIRITDHTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26/c1-17(2)19-5-7-21-11-25-16-28-14-24-10-20(18(3)4)6-8-22(24)12-26(28)15-27(25)13-23(21)9-19/h5-18H,1-4H3.
What are the key properties of 2,9-di(propan-2-yl)pentacene?
2,9-di(propan-2-yl)pentacene has a molecular weight of 362.52 g/mol, XLogP of 8.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-di(propan-2-yl)pentacene is sourced from PubChem (CID 153380534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).