2,3,9,10-tetrakis(prop-2-enyl)pentacene

C34H30 — CID 173239709

IUPAC2,3,9,10-tetrakis(prop-2-enyl)pentacene
SMILESC=CCc1cc2cc3cc4cc5cc(CC=C)c(CC=C)cc5cc4cc3cc2cc1CC=C
InChIInChI=1S/C34H30/c1-5-9-23-13-27-17-31-21-33-19-29-15-25(11-7-3)26(12-8-4)16-30(29)20-34(33)22-32(31)18-28(27)14-24(23)10-6-2/h5-8,13-22H,1-4,9-12H2
InChIKeyFDGOVPCZXPNRCU-UHFFFAOYSA-N
MW438.61 g/mol
LogP9.21
Rot. Bonds8

About 2,3,9,10-tetrakis(prop-2-enyl)pentacene

2,3,9,10-tetrakis(prop-2-enyl)pentacene (PubChem CID 173239709) has the molecular formula C34H30 and a molecular weight of 438.61 g/mol. Its IUPAC name is 2,3,9,10-tetrakis(prop-2-enyl)pentacene.

Molecular Properties

Compound Name2,3,9,10-tetrakis(prop-2-enyl)pentacene
PubChem CID173239709
Molecular FormulaC34H30
Molecular Weight438.61 g/mol
Exact Mass438.23
IUPAC Name2,3,9,10-tetrakis(prop-2-enyl)pentacene
SMILESC=CCc1cc2cc3cc4cc5cc(CC=C)c(CC=C)cc5cc4cc3cc2cc1CC=C
InChIInChI=1S/C34H30/c1-5-9-23-13-27-17-31-21-33-19-29-15-25(11-7-3)26(12-8-4)16-30(29)20-34(33)22-32(31)18-28(27)14-24(23)10-6-2/h5-8,13-22H,1-4,9-12H2
InChIKeyFDGOVPCZXPNRCU-UHFFFAOYSA-N
XLogP9.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.61
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,9,10-tetrakis(prop-2-enyl)pentacene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,9,10-tetrakis(prop-2-enyl)pentacene?
The IUPAC name of 2,3,9,10-tetrakis(prop-2-enyl)pentacene (CID 173239709) is 2,3,9,10-tetrakis(prop-2-enyl)pentacene.
What is the SMILES notation for 2,3,9,10-tetrakis(prop-2-enyl)pentacene?
The canonical SMILES for 2,3,9,10-tetrakis(prop-2-enyl)pentacene is C=CCc1cc2cc3cc4cc5cc(CC=C)c(CC=C)cc5cc4cc3cc2cc1CC=C.
What is the InChIKey of 2,3,9,10-tetrakis(prop-2-enyl)pentacene?
The InChIKey is FDGOVPCZXPNRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30/c1-5-9-23-13-27-17-31-21-33-19-29-15-25(11-7-3)26(12-8-4)16-30(29)20-34(33)22-32(31)18-28(27)14-24(23)10-6-2/h5-8,13-22H,1-4,9-12H2.
What are the key properties of 2,3,9,10-tetrakis(prop-2-enyl)pentacene?
2,3,9,10-tetrakis(prop-2-enyl)pentacene has a molecular weight of 438.61 g/mol, XLogP of 9.21, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,9,10-tetrakis(prop-2-enyl)pentacene is sourced from PubChem (CID 173239709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).